Overview


  Modeling process

Preparation of the library drugs and targets

We used BindingDB database as our training datasets. BindingDB is a public, web-accessible database of measured binding affinities, focusing chiefly on the interactions of proteins considered to be candidate drug-targets with ligands that are small, drug-like molecules. Activity data were filtered to keep only activity end-point points that had half-maximum inhibitory concentration (IC50), half-maximum effective concentration (EC50) or Ki values. Herein, to ensure that enough number of molecules could be used in model building, we previously selected those targets with larger than 200 biological activity data. Following this procedure, 109061 compounds associated with 623 target proteins remained with 115257 activity end-points, which were used for model building.


Preparation of the positive and negative set

For those compounds with more than one activity values, we took the mean value of their activity values as the final activity value. A compound was considered active when the mean activity value was below 10 uM. All compounds higher than 10 uM are considered inactive. Following this split, maybe some human proteins have very little number of negative samples. To balance the number between positive samples and negative samples for each human protein, we randomly selected certain number of compounds from other human proteins to generate the negative samples for these human proteins. The number of these selected negative samples together with inactive samples should be basically equal to the number of the active samples for these human proteins. These prepared positive set and negative set were used as the subsequent model building.


Model training and validation

A series of high confidence QSAR models were built using BindingDB. Naïve Bayes models were built with different fingerprint representations for 623 proteins. The Naïve Bayes method for predicting DTI profiling was chosen as it provided both good performance for noisy data sets and a high speed of calculation. Herein, to obtain the best model performance, we compared 7 types of molecular fingerprints when establishing the prediction models, including FP2, MACCS, Estate, FP4, Daylight, ECFP2-2048, ECFP4-2048, and ECFP6-2048. To obtain the better prediction ability, we also ensemble all fingerprint models to obtain the average output. For each model, we applied five-fold cross validation and external validation to evaluate the prediction performance of models. For 5-fold cross validation, the data set is split into 5 roughly equal-sized parts firstly, and then we fit the model to four parts of the data and calculate the error rate of the other part. The process is repeated 5 times so that every part can be predicted as a validation set. To observe the stability of models, we repeated the cross validation program 10 times to report standard deviations of each statistics. For the external validation, the data were split in two parts for the validation step: compounds were clustered and assigned a cluster number. Clusters with an odd number were assigned to the test set, and the clusters with an even number were assigned to the training set. Models were built with the training set, and the test set was scored. Finally, a model was built with all data and scored against itself – the training set and whole set should provide similar validation statistics. Statistics on the performance of the models were reported, including commonly used ones in classification schemes: accuracy, sensitivity, specificity, AUC, Matthews correlation coefficient (MCC) and F-score values. The cut-off providing the best MCC value was adopted, as they are shown to provide better performance. ROC provides an overall score and does not need to specify a cut-off for distinguishing active from inactive compounds. The area under the receiver operating characteristic (ROC) curve provides an indication of the ability of the model to prioritize active compounds over inactive compounds. The ROC curve is the plot of the true positive versus the false positive rate.


  Model Performance

Performance VS fingerprint type

Performance VS target number
  All targets
click the links below to view all corresponding targets

Models using different types of fingerprints

The 623 targets
Uniprot_ID Protein Details
P24557 Thromboxane-A synthase View
P49430 Thromboxane-A synthase View
P37268 Squalene synthase View
P07339 Cathepsin D View
P13866 Sodium/glucose cotransporter 1 View
Q8TDS4 Hydroxycarboxylic acid receptor 2 View
P30291 Wee1-like protein kinase View
Q9HC97 G-protein coupled receptor 35 View
Q9Y2R2 Tyrosine-protein phosphatase non-receptor type 22 View
P62993 Growth factor receptor-bound protein 2 View
P09483 Neuronal acetylcholine receptor subunit alpha-4 View
P43681 Neuronal acetylcholine receptor subunit alpha-4 View
P36544 Neuronal acetylcholine receptor subunit alpha-7 View
Q05941 Neuronal acetylcholine receptor subunit alpha-7 View
P31749 RAC-alpha serine/threonine-protein kinase View
P31751 RAC-beta serine/threonine-protein kinase View
Q9Y243 RAC-gamma serine/threonine-protein kinase View
P22086 Alpha-2C adrenergic receptor View
P18825 Alpha-2C adrenergic receptor View
P18089 Alpha-2B adrenergic receptor View
P08913 Alpha-2A adrenergic receptor View
Q01959 Sodium-dependent dopamine transporter View
P23977 Sodium-dependent dopamine transporter View
P23975 Sodium-dependent noradrenaline transporter View
P55263 Adenosine kinase View
P13945 Beta-3 adrenergic receptor View
P08588 Beta-1 adrenergic receptor View
Q07422 Bifunctional dihydrofolate reductase-thymidylate synthase View
P13922 Bifunctional dihydrofolate reductase-thymidylate synthase View
P34913 Bifunctional epoxide hydrolase 2 View
P15144 Aminopeptidase N View
P05771 Protein kinase C beta type View
P20444 Protein kinase C alpha type View
P05129 Protein kinase C gamma type View
Q04759 Protein kinase C theta type View
Q05655 Protein kinase C delta type View
Q02156 Protein kinase C epsilon type View
P07384 Calpain-1 catalytic subunit View
P22894 Neutrophil collagenase View
P08254 Stromelysin-1 View
P37059 Estradiol 17-beta-dehydrogenase 2 View
P16753 Capsid scaffolding protein View
P68400 Casein kinase II subunit alpha View
P50172 Corticosteroid 11-beta-dehydrogenase isozyme 1 View
P28845 Corticosteroid 11-beta-dehydrogenase isozyme 1 View
O00763 Acetyl-CoA carboxylase 2 View
P42330 Aldo-keto reductase family 1 member C3 View
P80365 Corticosteroid 11-beta-dehydrogenase isozyme 2 View
P51661 Corticosteroid 11-beta-dehydrogenase isozyme 2 View
Q02127 Dihydroorotate dehydrogenase (quinone), mitochondrial View
Q8T6T2 Inosine-5'-monophosphate dehydrogenase View
P12268 Inosine-5'-monophosphate dehydrogenase 2 View
O95822 Malonyl-CoA decarboxylase, mitochondrial View
P21980 Protein-glutamine gamma-glutamyltransferase 2 View
P12527 Arachidonate 5-lipoxygenase View
P09917 Arachidonate 5-lipoxygenase View
P11511 Aromatase View
P35610 Sterol O-acyltransferase 1 View
O70536 Sterol O-acyltransferase 1 View
P19156 Potassium-transporting ATPase alpha chain 1 View
P20648 Potassium-transporting ATPase alpha chain 1 View
P56658 Adenosine deaminase View
P35557 Glucokinase View
P16116 Aldose reductase View
P15121 Aldose reductase View
P07943 Aldose reductase View
P21397 Amine oxidase [flavin-containing] A View
P21396 Amine oxidase [flavin-containing] A View
P27338 Amine oxidase [flavin-containing] B View
P19643 Amine oxidase [flavin-containing] B View
O14684 Prostaglandin E synthase View
O60725 Protein-S-isoprenylcysteine O-methyltransferase View
Q13085 Acetyl-CoA carboxylase 1 View
O75907 Diacylglycerol O-acyltransferase 1 View
P53609 Geranylgeranyl transferase type-1 subunit beta View
P55157 Microsomal triglyceride transfer protein large subunit View
P14740 Dipeptidyl peptidase 4 View
P27487 Dipeptidyl peptidase 4 View
P16581 E-selectin View
Q9GZT9 Egl nine homolog 1 View
P03956 Interstitial collagenase View
Q7TMR0 Lysosomal Pro-X carboxypeptidase View
P42785 Lysosomal Pro-X carboxypeptidase View
P48147 Prolyl endopeptidase View
P13497 Bone morphogenetic protein 1 View
O14672 Disintegrin and metalloproteinase domain-containing protein 10 View
O77636 Disintegrin and metalloproteinase domain-containing protein 17 View
P78536 Disintegrin and metalloproteinase domain-containing protein 17 View
P43235 Cathepsin K View
P49840 Glycogen synthase kinase-3 alpha View
P49841 Glycogen synthase kinase-3 beta View
P04818 Thymidylate synthase View
P07607 Thymidylate synthase View
P05093 Steroid 17-alpha-hydroxylase/17,20 lyase View
P08842 Steryl-sulfatase View
P12822 Angiotensin-converting enzyme View
P12821 Angiotensin-converting enzyme View
P47820 Angiotensin-converting enzyme View
Q05769 Prostaglandin G/H synthase 2 View
P79208 Prostaglandin G/H synthase 2 View
P35354 Prostaglandin G/H synthase 2 View
P05979 Prostaglandin G/H synthase 1 View
P23219 Prostaglandin G/H synthase 1 View
P42892 Endothelin-converting enzyme 1 View
Q99685 Monoglyceride lipase View
P11086 Phenylethanolamine N-methyltransferase View
P31213 3-oxo-5-alpha-steroid 4-dehydrogenase 2 View
P18405 3-oxo-5-alpha-steroid 4-dehydrogenase 1 View
P00750 Tissue-type plasminogen activator View
O42713 Polyphenol oxidase 2 View
P50579 Methionine aminopeptidase 2 View
Q02769 Squalene synthase View
Q14432 cGMP-inhibited 3',5'-cyclic phosphodiesterase A View
O00408 cGMP-dependent 3',5'-cyclic phosphodiesterase View
P05177 Cytochrome P450 1A2 View
P11712 Cytochrome P450 2C9 View
P08684 Cytochrome P450 3A4 View
P01375 Tumor necrosis factor View
P97612 Fatty-acid amide hydrolase 1 View
O00519 Fatty-acid amide hydrolase 1 View
P09237 Matrilysin View
Q86TI2 Dipeptidyl peptidase 9 View
Q6V1X1 Dipeptidyl peptidase 8 View
Q9HC16 DNA dC->dU-editing enzyme APOBEC-3G View
P31941 DNA dC->dU-editing enzyme APOBEC-3A View
P21917 D(4) dopamine receptor View
P21918 D(1B) dopamine receptor View
Q95136 D(1A) dopamine receptor View
P50130 D(1A) dopamine receptor View
P18901 D(1A) dopamine receptor View
P21728 D(1A) dopamine receptor View
P20288 D(2) dopamine receptor View
P14416 D(2) dopamine receptor View
P61169 D(2) dopamine receptor View
P30729 D(4) dopamine receptor View
P19020 D(3) dopamine receptor View
P35462 D(3) dopamine receptor View
Q9HAZ1 Dual specificity protein kinase CLK4 View
P49759 Dual specificity protein kinase CLK1 View
Q02750 Dual specificity mitogen-activated protein kinase kinase 1 View
Q00987 E3 ubiquitin-protein ligase Mdm2 View
P08183 Multidrug resistance protein 1 View
P09960 Leukotriene A-4 hydrolase View
P00918 Carbonic anhydrase 2 View
O96020 G1/S-specific cyclin-E2 View
Q04631 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha View
P49355 Protein farnesyltransferase subunit beta View
P49356 Protein farnesyltransferase subunit beta View
Q92542 Nicastrin View
Q9NZ42 Gamma-secretase subunit PEN-2 View
Q96BI3 Gamma-secretase subunit APH-1A View
P81908 Cholinesterase View
Q494W8 CHRNA7-FAM7A fusion protein View
P00742 Coagulation factor X View
P37058 Testosterone 17-beta-dehydrogenase 3 View
P14061 Estradiol 17-beta-dehydrogenase 1 View
P05067 Amyloid beta A4 protein View
Q60492 Sigma non-opioid intracellular receptor 1 View
Q9R0C9 Sigma non-opioid intracellular receptor 1 View
Q99720 Sigma non-opioid intracellular receptor 1 View
P09958 Furin View
Q99835 Smoothened homolog View
P34975 Kappa-type opioid receptor View
P41144 Kappa-type opioid receptor View
P41145 Kappa-type opioid receptor View
P41146 Nociceptin receptor View
P28222 5-hydroxytryptamine receptor 1B View
P28221 5-hydroxytryptamine receptor 1D View
P28566 5-hydroxytryptamine receptor 1E View
P30939 5-hydroxytryptamine receptor 1F View
P28564 5-hydroxytryptamine receptor 1B View
P28335 5-hydroxytryptamine receptor 2C View
P08909 5-hydroxytryptamine receptor 2C View
P28223 5-hydroxytryptamine receptor 2A View
P14842 5-hydroxytryptamine receptor 2A View
P08908 5-hydroxytryptamine receptor 1A View
P19327 5-hydroxytryptamine receptor 1A View
P35353 Corticotropin-releasing factor receptor 1 View
P34998 Corticotropin-releasing factor receptor 1 View
P47871 Glucagon receptor View
Q14416 Metabotropic glutamate receptor 2 View
P31424 Metabotropic glutamate receptor 5 View
P23385 Metabotropic glutamate receptor 1 View
Q14833 Metabotropic glutamate receptor 4 View
P31421 Metabotropic glutamate receptor 2 View
O14842 Free fatty acid receptor 1 View
P21453 Sphingosine 1-phosphate receptor 1 View
P30989 Neurotensin receptor type 1 View
P41143 Delta-type opioid receptor View
P32300 Delta-type opioid receptor View
P33533 Delta-type opioid receptor View
P07477 Trypsin-1 View
Q04609 Glutamate carboxypeptidase 2 View
P15538 Cytochrome P450 11B1, mitochondrial View
Q9QZN9 Cannabinoid receptor 2 View
P47936 Cannabinoid receptor 2 View
P34972 Cannabinoid receptor 2 View
P25116 Proteinase-activated receptor 1 View
P49286 Melatonin receptor type 1B View
P48039 Melatonin receptor type 1A View
P51679 C-C chemokine receptor type 4 View
Q9UKP6 Urotensin-2 receptor View
Q9UNQ0 ATP-binding cassette sub-family G member 2 View
P46925 Plasmepsin-2 View
P25779 Cruzipain View
Q08499 cAMP-specific 3',5'-cyclic phosphodiesterase 4D View
P27815 cAMP-specific 3',5'-cyclic phosphodiesterase 4A View
Q07343 cAMP-specific 3',5'-cyclic phosphodiesterase 4B View
Q13946 High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A View
P05362 Intercellular adhesion molecule 1 View
P07711 Cathepsin L1 View
P19320 Vascular cell adhesion protein 1 View
Q05469 Hormone-sensitive lipase View
P31389 Histamine H1 receptor View
P35367 Histamine H1 receptor View
P31390 Histamine H1 receptor View
P07478 Trypsin-2 View
P13726 Tissue factor View
P08709 Coagulation factor VII View
P08514 Integrin alpha-IIb View
P20701 Integrin alpha-L View
P05106 Integrin beta-3 View
P18084 Integrin beta-5 View
P05556 Integrin beta-1 View
P13612 Integrin alpha-4 View
P48145 Neuropeptides B/W receptor type 1 View
P20272 Cannabinoid receptor 1 View
P21554 Cannabinoid receptor 1 View
P19634 Sodium/hydrogen exchanger 1 View
Q00788 Vasopressin V2 receptor View
P42574 Caspase-3 View
P55211 Caspase-9 View
P55210 Caspase-7 View
P55212 Caspase-6 View
P09874 Poly [ADP-ribose] polymerase 1 View
P23141 Liver carboxylesterase 1 View
O00748 Cocaine esterase View
Q07820 Induced myeloid leukemia cell differentiation protein Mcl-1 View
P11597 Cholesteryl ester transfer protein View
P49682 C-X-C chemokine receptor type 3 View
P62943 Peptidyl-prolyl cis-trans isomerase FKBP1A View
P62942 Peptidyl-prolyl cis-trans isomerase FKBP1A View
Q9NR96 Toll-like receptor 9 View
P16184 Dihydrofolate reductase View
Q920D2 Dihydrofolate reductase View
P00374 Dihydrofolate reductase View
P00375 Dihydrofolate reductase View
P14324 Farnesyl pyrophosphate synthase View
P80457 Xanthine dehydrogenase/oxidase View
O35433 Transient receptor potential cation channel subfamily V member 1 View
Q8NER1 Transient receptor potential cation channel subfamily V member 1 View
P24468 COUP transcription factor 2 View
Q07869 Peroxisome proliferator-activated receptor alpha View
Q96RI1 Bile acid receptor View
Q03181 Peroxisome proliferator-activated receptor delta View
P35869 Aryl hydrocarbon receptor View
Q00G26 Perilipin-5 View
P23946 Chymase View
P78396 Cyclin-A1 View
P39900 Macrophage metalloelastase View
O14939 Phospholipase D2 View
Q13627 Dual specificity tyrosine-phosphorylation-regulated kinase 1A View
Q63470 Dual specificity tyrosine-phosphorylation-regulated kinase 1A View
P14780 Matrix metalloproteinase-9 View
Q99808 Equilibrative nucleoside transporter 1 View
P22001 Potassium voltage-gated channel subfamily A member 3 View
Q15858 Sodium channel protein type 9 subunit alpha View
P26358 DNA (cytosine-5)-methyltransferase 1 View
O14965 Aurora kinase A View
O43613 Orexin receptor type 1 View
P08246 Neutrophil elastase View
Q13093 Platelet-activating factor acetylhydrolase View
O60240 Perilipin-1 View
P08238 Heat shock protein HSP 90-beta View
P07900 Heat shock protein HSP 90-alpha View
Q14790 Caspase-8 View
P52732 Kinesin-like protein KIF11 View
P98170 E3 ubiquitin-protein ligase XIAP View
Q96EB6 NAD-dependent protein deacetylase sirtuin-1 View
Q8IXJ6 NAD-dependent protein deacetylase sirtuin-2 View
Q9UM73 ALK tyrosine kinase receptor View
Q04206 Transcription factor p65 View
P35439 Glutamate receptor ionotropic, NMDA 1 View
Q13224 Glutamate receptor ionotropic, NMDA 2B View
Q00960 Glutamate receptor ionotropic, NMDA 2B View
P16050 Arachidonate 15-lipoxygenase View
P12931 Proto-oncogene tyrosine-protein kinase Src View
Q05397 Focal adhesion kinase 1 View
P17706 Tyrosine-protein phosphatase non-receptor type 2 View
Q06187 Tyrosine-protein kinase BTK View
O60674 Tyrosine-protein kinase JAK2 View
P52333 Tyrosine-protein kinase JAK3 View
P43405 Tyrosine-protein kinase SYK View
Q07912 Activated CDC42 kinase 1 View
P08631 Tyrosine-protein kinase HCK View
P06241 Tyrosine-protein kinase Fyn View
P00519 Tyrosine-protein kinase ABL1 View
P06239 Tyrosine-protein kinase Lck View
P07948 Tyrosine-protein kinase Lyn View
O43614 Orexin receptor type 2 View
P21451 Endothelin B receptor View
P35463 Endothelin B receptor View
P24530 Endothelin B receptor View
P10827 Thyroid hormone receptor alpha View
P10828 Thyroid hormone receptor beta View
Q92731 Estrogen receptor beta View
P03372 Estrogen receptor View
P35398 Nuclear receptor ROR-alpha View
P37231 Peroxisome proliferator-activated receptor gamma View
Q13133 Oxysterols receptor LXR-alpha View
P15917 Lethal factor View
Q9Y5X4 Photoreceptor-specific nuclear receptor View
Q15078 Cyclin-dependent kinase 5 activator 1 View
P04054 Phospholipase A2 View
O00329 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform View
P42338 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform View
P42336 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform View
P48736 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform View
P06737 Glycogen phosphorylase, liver form View
P00517 cAMP-dependent protein kinase catalytic subunit alpha View
P63000 Ras-related C3 botulinum toxin substrate 1 View
P63001 Ras-related C3 botulinum toxin substrate 1 View
P60953 Cell division control protein 42 homolog View
P00747 Plasminogen View
P06493 Cyclin-dependent kinase 1 View
Q9Y233 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A View
Q9QYJ6 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A View
Q28156 cGMP-specific 3',5'-cyclic phosphodiesterase View
P45452 Collagenase 3 View
Q9UHL4 Dipeptidyl peptidase 2 View
Q12809 Potassium voltage-gated channel subfamily H member 2 View
Q5S007 Leucine-rich repeat serine/threonine-protein kinase 2 View
Q07817 Bcl-2-like protein 1 View
Q29463 Anionic trypsin View
P00760 Cationic trypsin View
P00766 Chymotrypsinogen A View
P19099 Cytochrome P450 11B2, mitochondrial View
Q9GZU7 Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 View
P49810 Presenilin-2 View
P49768 Presenilin-1 View
Q8WW43 Gamma-secretase subunit APH-1B View
P29597 Non-receptor tyrosine-protein kinase TYK2 View
P29477 Nitric oxide synthase, inducible View
P35228 Nitric oxide synthase, inducible View
P29476 Nitric oxide synthase, brain View
P29475 Nitric oxide synthase, brain View
P29474 Nitric oxide synthase, endothelial View
P14174 Macrophage migration inhibitory factor View
Q00535 Cyclin-dependent-like kinase 5 View
P16257 Translocator protein View
P50750 Cyclin-dependent kinase 9 View
P15056 Serine/threonine-protein kinase B-raf View
O75116 Rho-associated protein kinase 2 View
Q13464 Rho-associated protein kinase 1 View
P35236 Tyrosine-protein phosphatase non-receptor type 7 View
P04626 Receptor tyrosine-protein kinase erbB-2 View
P08575 Receptor-type tyrosine-protein phosphatase C View
P11309 Serine/threonine-protein kinase pim-1 View
Q9P1W9 Serine/threonine-protein kinase pim-2 View
Q86V86 Serine/threonine-protein kinase pim-3 View
P51677 C-C chemokine receptor type 3 View
P32246 C-C chemokine receptor type 1 View
P51681 C-C chemokine receptor type 5 View
P30543 Adenosine receptor A2a View
P29274 Adenosine receptor A2a View
P29275 Adenosine receptor A2b View
P25099 Adenosine receptor A1 View
P28190 Adenosine receptor A1 View
P30542 Adenosine receptor A1 View
P28647 Adenosine receptor A3 View
Q9H244 P2Y purinoceptor 12 View
P35351 Type-2 angiotensin II receptor View
P50052 Type-2 angiotensin II receptor View
P30556 Type-1 angiotensin II receptor View
P29089 Type-1B angiotensin II receptor View
P25104 Type-1 angiotensin II receptor View
P34976 Type-1 angiotensin II receptor View
P47901 Vasopressin V1b receptor View
P37288 Vasopressin V1a receptor View
P30560 Vasopressin V1a receptor View
P30518 Vasopressin V2 receptor View
P41231 P2Y purinoceptor 2 View
Q99572 P2X purinoceptor 7 View
Q64663 P2X purinoceptor 7 View
Q8TDU6 G-protein coupled bile acid receptor 1 View
P08235 Mineralocorticoid receptor View
P30411 B2 bradykinin receptor View
Q16602 Calcitonin gene-related peptide type 1 receptor View
P32238 Cholecystokinin receptor type A View
P30551 Cholecystokinin receptor type A View
Q9Y271 Cysteinyl leukotriene receptor 1 View
P33535 Mu-type opioid receptor View
P42866 Mu-type opioid receptor View
P97266 Mu-type opioid receptor View
P35372 Mu-type opioid receptor View
Q29010 Endothelin-1 receptor View
P25101 Endothelin-1 receptor View
P26684 Endothelin-1 receptor View
P47900 P2Y purinoceptor 1 View
Q15722 Leukotriene B4 receptor 1 View
Q15077 P2Y purinoceptor 6 View
P56481 Gastrin/cholecystokinin type B receptor View
P30553 Gastrin/cholecystokinin type B receptor View
P32239 Gastrin/cholecystokinin type B receptor View
Q92847 Growth hormone secretagogue receptor type 1 View
P04150 Glucocorticoid receptor View
P42262 Glutamate receptor 2 View
P30969 Gonadotropin-releasing hormone receptor View
P30968 Gonadotropin-releasing hormone receptor View
P25025 C-X-C chemokine receptor type 2 View
Q99705 Melanin-concentrating hormone receptor 1 View
Q969F8 KiSS-1 receptor View
O43193 Motilin receptor View
Q01727 Melanocyte-stimulating hormone receptor View
Q01726 Melanocyte-stimulating hormone receptor View
P41149 Melanocortin receptor 5 View
P33032 Melanocortin receptor 5 View
P41968 Melanocortin receptor 3 View
Q15761 Neuropeptide Y receptor type 5 View
P25929 Neuropeptide Y receptor type 1 View
P49146 Neuropeptide Y receptor type 2 View
P70536 Oxytocin receptor View
P30559 Oxytocin receptor View
P25105 Platelet-activating factor receptor View
P43119 Prostacyclin receptor View
Q9Y5Y4 Prostaglandin D2 receptor 2 View
Q13258 Prostaglandin D2 receptor View
P34995 Prostaglandin E2 receptor EP1 subtype View
P35408 Prostaglandin E2 receptor EP4 subtype View
P32240 Prostaglandin E2 receptor EP4 subtype View
P43116 Prostaglandin E2 receptor EP2 subtype View
Q62053 Prostaglandin E2 receptor EP2 subtype View
P30557 Prostaglandin E2 receptor EP3 subtype View
P43115 Prostaglandin E2 receptor EP3 subtype View
P43088 Prostaglandin F2-alpha receptor View
P28702 Retinoic acid receptor RXR-beta View
P13631 Retinoic acid receptor gamma View
P48443 Retinoic acid receptor RXR-gamma View
P19793 Retinoic acid receptor RXR-alpha View
P10276 Retinoic acid receptor alpha View
P10826 Retinoic acid receptor beta View
P35346 Somatostatin receptor type 5 View
P30872 Somatostatin receptor type 1 View
P32745 Somatostatin receptor type 3 View
P30874 Somatostatin receptor type 2 View
P31391 Somatostatin receptor type 4 View
P41597 C-C chemokine receptor type 2 View
P51685 C-C chemokine receptor type 8 View
P61073 C-X-C chemokine receptor type 4 View
Q8TDV5 Glucose-dependent insulinotropic receptor View
O60755 Galanin receptor type 3 View
Q9H228 Sphingosine 1-phosphate receptor 5 View
O95977 Sphingosine 1-phosphate receptor 4 View
O95136 Sphingosine 1-phosphate receptor 2 View
Q99500 Sphingosine 1-phosphate receptor 3 View
P40238 Thrombopoietin receptor View
P21731 Thromboxane A2 receptor View
Q96RJ0 Trace amine-associated receptor 1 View
Q923Y8 Trace amine-associated receptor 1 View
P56450 Melanocortin receptor 4 View
P32245 Melanocortin receptor 4 View
P25024 C-X-C chemokine receptor type 1 View
P00533 Epidermal growth factor receptor View
P55245 Epidermal growth factor receptor View
P04629 High affinity nerve growth factor receptor View
P30530 Tyrosine-protein kinase receptor UFO View
P08581 Hepatocyte growth factor receptor View
Q06418 Tyrosine-protein kinase receptor TYRO3 View
P54760 Ephrin type-B receptor 4 View
P08069 Insulin-like growth factor 1 receptor View
P07949 Proto-oncogene tyrosine-protein kinase receptor Ret View
P11387 DNA topoisomerase 1 View
P00797 Renin View
P20292 Arachidonate 5-lipoxygenase-activating protein View
P41279 Mitogen-activated protein kinase kinase kinase 8 View
O15379 Histone deacetylase 3 View
Q9UBN7 Histone deacetylase 6 View
Q9BY41 Histone deacetylase 8 View
Q13547 Histone deacetylase 1 View
Q5RAG0 Histone deacetylase 1 View
Q92769 Histone deacetylase 2 View
P56524 Histone deacetylase 4 View
P33261 Cytochrome P450 2C19 View
P10635 Cytochrome P450 2D6 View
Q9Y5Z0 Beta-secretase 2 View
P56817 Beta-secretase 1 View
Q16548 Bcl-2-related protein A1 View
Q8N1Q1 Carbonic anhydrase 13 View
Q9Y2D0 Carbonic anhydrase 5B, mitochondrial View
Q9ULX7 Carbonic anhydrase 14 View
O43570 Carbonic anhydrase 12 View
P43166 Carbonic anhydrase 7 View
P00915 Carbonic anhydrase 1 View
P23280 Carbonic anhydrase 6 View
P35218 Carbonic anhydrase 5A, mitochondrial View
Q95323 Carbonic anhydrase 4 View
P22748 Carbonic anhydrase 4 View
Q16790 Carbonic anhydrase 9 View
P32247 Bombesin receptor subtype-3 View
O00311 Cell division cycle 7-related protein kinase View
P41180 Extracellular calcium-sensing receptor View
P11802 Cyclin-dependent kinase 4 View
O14920 Inhibitor of nuclear factor kappa-B kinase subunit beta View
P05121 Plasminogen activator inhibitor 1 View
P08311 Cathepsin G View
P50613 Cyclin-dependent kinase 7 View
O15530 3-phosphoinositide-dependent protein kinase 1 View
P28482 Mitogen-activated protein kinase 1 View
Q15759 Mitogen-activated protein kinase 11 View
Q16539 Mitogen-activated protein kinase 14 View
P47811 Mitogen-activated protein kinase 14 View
O96013 Serine/threonine-protein kinase PAK 4 View
P42345 Serine/threonine-protein kinase mTOR View
O43353 Receptor-interacting serine/threonine-protein kinase 2 View
P24941 Cyclin-dependent kinase 2 View
P45983 Mitogen-activated protein kinase 8 View
P45984 Mitogen-activated protein kinase 9 View
P53779 Mitogen-activated protein kinase 10 View
P04049 RAF proto-oncogene serine/threonine-protein kinase View
P51812 Ribosomal protein S6 kinase alpha-3 View
P23443 Ribosomal protein S6 kinase beta-1 View
P53350 Serine/threonine-protein kinase PLK1 View
Q9NWZ3 Interleukin-1 receptor-associated kinase 4 View
O96017 Serine/threonine-protein kinase Chk2 View
P31652 Sodium-dependent serotonin transporter View
P31645 Sodium-dependent serotonin transporter View
P51452 Dual specificity protein phosphatase 3 View
P31639 Sodium/glucose cotransporter 2 View
P00749 Urokinase-type plasminogen activator View
O00767 Acyl-CoA desaturase View
P13516 Acyl-CoA desaturase 1 View
P07308 Acyl-CoA desaturase 1 View
P15207 Androgen receptor View
P10275 Androgen receptor View
P49137 MAP kinase-activated protein kinase 2 View
P10415 Apoptosis regulator Bcl-2 View
O14746 Telomerase reverse transcriptase View
P23795 Acetylcholinesterase View
P37136 Acetylcholinesterase View
O42275 Acetylcholinesterase View
P21836 Acetylcholinesterase View
P04058 Acetylcholinesterase View
P22303 Acetylcholinesterase View
P31648 Sodium- and chloride-dependent GABA transporter 1 View
P23978 Sodium- and chloride-dependent GABA transporter 1 View
P48067 Sodium- and chloride-dependent glycine transporter 1 View
P06756 Integrin alpha-V View
P25021 Histamine H2 receptor View
Q9JI35 Histamine H3 receptor View
Q9QYN8 Histamine H3 receptor View
Q9Y5N1 Histamine H3 receptor View
Q9H3N8 Histamine H4 receptor View
P10980 Muscarinic acetylcholine receptor M2 View
P08172 Muscarinic acetylcholine receptor M2 View
P08173 Muscarinic acetylcholine receptor M4 View
P08483 Muscarinic acetylcholine receptor M3 View
P08912 Muscarinic acetylcholine receptor M5 View
P08482 Muscarinic acetylcholine receptor M1 View
P20309 Muscarinic acetylcholine receptor M3 View
P11229 Muscarinic acetylcholine receptor M1 View
P00491 Purine nucleoside phosphorylase View
P06401 Progesterone receptor View
P08473 Neprilysin View
P07861 Neprilysin View
P29466 Caspase-1 View
P07858 Cathepsin B View
P25774 Cathepsin S View
P18130 Alpha-1A adrenergic receptor View
P43140 Alpha-1A adrenergic receptor View
P35368 Alpha-1B adrenergic receptor View
P35348 Alpha-1A adrenergic receptor View
P25100 Alpha-1D adrenergic receptor View
P23944 Alpha-1D adrenergic receptor View
P46663 B1 bradykinin receptor View
P29371 Neuromedin-K receptor View
P21452 Substance-K receptor View
P14600 Substance-P receptor View
P25103 Substance-P receptor View
Q13639 5-hydroxytryptamine receptor 4 View
P34969 5-hydroxytryptamine receptor 7 View
Q62758 5-hydroxytryptamine receptor 4 View
P50406 5-hydroxytryptamine receptor 6 View
P31388 5-hydroxytryptamine receptor 6 View
P32305 5-hydroxytryptamine receptor 7 View
P47898 5-hydroxytryptamine receptor 5A View
P35563 5-hydroxytryptamine receptor 3A View
P46098 5-hydroxytryptamine receptor 3A View
P05186 Alkaline phosphatase, tissue-nonspecific isozyme View
P05364 Beta-lactamase View
Q14524 Sodium channel protein type 5 subunit alpha View
P14555 Phospholipase A2, membrane associated View
P00735 Prothrombin View
P00734 Prothrombin View
P41235 Hepatocyte nuclear factor 4-alpha View
P04035 3-hydroxy-3-methylglutaryl-coenzyme A reductase View
P51639 3-hydroxy-3-methylglutaryl-coenzyme A reductase View
P36897 TGF-beta receptor type-1 View
P20231 Tryptase beta-2 View
Q15661 Tryptase alpha/beta-1 View
Q6B856 Tubulin beta-2B chain View
Q3KRE8 Tubulin beta-2B chain View
P02550 Tubulin alpha-1A chain View
P23458 Tyrosine-protein kinase JAK1 View
P43403 Tyrosine-protein kinase ZAP-70 View
Q08881 Tyrosine-protein kinase ITK/TSK View
P30305 M-phase inducer phosphatase 2 View
P16234 Platelet-derived growth factor receptor alpha View
P17948 Vascular endothelial growth factor receptor 1 View
P35968 Vascular endothelial growth factor receptor 2 View
P35916 Vascular endothelial growth factor receptor 3 View
Q02763 Angiopoietin-1 receptor View
P07333 Macrophage colony-stimulating factor 1 receptor View
P11362 Fibroblast growth factor receptor 1 View
P05622 Platelet-derived growth factor receptor beta View
P09619 Platelet-derived growth factor receptor beta View
P36888 Receptor-type tyrosine-protein kinase FLT3 View
P18031 Tyrosine-protein phosphatase non-receptor type 1 View
P08253 72 kDa type IV collagenase View
P22460 Potassium voltage-gated channel subfamily A member 5 View
Q00975 Voltage-dependent N-type calcium channel subunit alpha-1B View
O43497 Voltage-dependent T-type calcium channel subunit alpha-1G View
O95180 Voltage-dependent T-type calcium channel subunit alpha-1H View
P0DMS8 Adenosine receptor A3 View

Copyright @ 2012-2014 Computational Biology & Drug Design Group,
School of Pharmaceutical Sciences, Central South University. All rights reserved.

The recommended browsers: Safari, Firefox, Chrome, IE(Ver.>8).
 E-mail: biomed@csu.edu.cn