UCSF

SMDC CDiv Diverse

Binding 10μM Binding 1μM Functional 10μM ADME/T 10μM

Binding 10μM Targets with Highest Number of Available Compounds (131 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
5HT6R_HUMAN P50406 CHEMBL3371 Serotonin 6 (5-HT6) receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR1_HUMAN P21554 CHEMBL218 Cannabinoid CB1 receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
ELNE_HUMAN P08246 CHEMBL248 Leukocyte elastase 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2_HUMAN Q12809 CHEMBL240 HERG 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
LEF_BACAN P15917 CHEMBL4372 Anthrax lethal factor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R_RAT P25099 CHEMBL318 Adenosine A1 receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH1_HUMAN P00915 CHEMBL261 Carbonic anhydrase I 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH9_HUMAN Q16790 CHEMBL3594 Carbonic anhydrase IX 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR2_HUMAN P34972 CHEMBL253 Cannabinoid CB2 receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
EST1_HUMAN P23141 CHEMBL2265 Acyl coenzyme A:cholesterol acyltransferase 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
EST2_HUMAN O00748 CHEMBL3180 Carboxylesterase 2 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PARP1_HUMAN P09874 CHEMBL3105 Poly [ADP-ribose] polymerase-1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE5A_HUMAN O76074 CHEMBL1827 Phosphodiesterase 5A 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72874_9HIV1 Q72874 CHEMBL243 Human immunodeficiency virus type 1 protease 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN1A_HUMAN P35498 CHEMBL1845 Sodium channel protein type I alpha subunit 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN2A_HUMAN Q99250 CHEMBL4187 Sodium channel protein type II alpha subunit 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN3A_HUMAN Q9NY46 CHEMBL5163 Sodium channel protein type III alpha subunit 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN8A_HUMAN Q9UQD0 CHEMBL5202 Sodium channel protein type VIII alpha subunit 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R_BOVIN P28190 CHEMBL4975 Adenosine A1 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_HUMAN P29274 CHEMBL251 Adenosine A2a receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_HUMAN P11229 CHEMBL216 Muscarinic acetylcholine receptor M1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_MOUSE P12657 CHEMBL3733 Muscarinic acetylcholine receptor M1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM2_HUMAN P08172 CHEMBL211 Muscarinic acetylcholine receptor M2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM2_MOUSE Q9ERZ4 CHEMBL3197 Muscarinic acetylcholine receptor M2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM3_HUMAN P20309 CHEMBL245 Muscarinic acetylcholine receptor M3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM3_MOUSE Q9ERZ3 CHEMBL5105 Muscarinic acetylcholine receptor M3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM4_MOUSE P32211 CHEMBL4572 Muscarinic acetylcholine receptor M4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM5_MOUSE Q920H4 CHEMBL2324 Muscarinic acetylcholine receptor M5 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A_HUMAN P35348 CHEMBL229 Alpha-1a adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1B_HUMAN P35368 CHEMBL232 Alpha-1b adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D_HUMAN P25100 CHEMBL223 Alpha-1d adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_HUMAN P08913 CHEMBL1867 Alpha-2a adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C_HUMAN P18825 CHEMBL1916 Alpha-2c adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_HUMAN P08588 CHEMBL213 Beta-1 adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_HUMAN P07550 CHEMBL210 Beta-2 adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB3_HUMAN P13945 CHEMBL246 Beta-3 adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALDH2_HUMAN P05091 CHEMBL1935 Aldehyde dehydrogenase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFA_RAT P21396 CHEMBL3358 Monoamine oxidase A 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFB_RAT P19643 CHEMBL2993 Monoamine oxidase B 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH12_HUMAN O43570 CHEMBL3242 Carbonic anhydrase XII 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH13_MOUSE Q9D6N1 CHEMBL2186 Carbonic anhydrase XIII 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH14_HUMAN Q9ULX7 CHEMBL3510 Carbonic anhydrase XIV 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH15_MOUSE Q99N23 CHEMBL5973 Carbonic anhydrase 15 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2_HUMAN P00918 CHEMBL205 Carbonic anhydrase II 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5A_HUMAN P35218 CHEMBL4789 Carbonic anhydrase VA 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5B_HUMAN Q9Y2D0 CHEMBL3969 Carbonic anhydrase VB 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP51_MYCTU P0A512 CHEMBL5090 Lanosterol 14-alpha demethylase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP51_TRYCC Q7Z1V1 CHEMBL1075110 Sterol 14-alpha demethylase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1_HUMAN P35367 CHEMBL231 Histamine H1 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1_RAT P31390 CHEMBL4701 Histamine H1 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
IGF1R_HUMAN P08069 CHEMBL1957 Insulin-like growth factor I receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ISPE_YERPE Q8ZEY1 CHEMBL1795200 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP13_HUMAN P45452 CHEMBL280 Matrix metalloproteinase 13 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1A_HUMAN P48039 CHEMBL1945 Melatonin receptor 1A 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1B_HUMAN P49286 CHEMBL1946 Melatonin receptor 1B 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NPY5R_HUMAN Q15761 CHEMBL4561 Neuropeptide Y receptor type 5 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PLAP_HUMAN Q9Y263 CHEMBL6114 Phospholipase A-2-activating protein 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPBT_HUMAN P05186 CHEMBL5979 Alkaline phosphatase, tissue-nonspecific isozyme 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PTN1_HUMAN P18031 CHEMBL335 Protein-tyrosine phosphatase 1B 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9AQH7_STAAU Q9AQH7 CHEMBL5643 DnaC helicase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3_RAT P23977 CHEMBL338 Dopamine transporter 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SIRT1_HUMAN Q96EB6 CHEMBL4506 NAD-dependent deacetylase sirtuin 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
UROK_HUMAN P00749 CHEMBL3286 Urokinase-type plasminogen activator 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
VMAT2_BOVIN Q27963 CHEMBL4271 Synaptic vesicular amine transporter 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
VMAT2_RAT Q01827 CHEMBL4828 Synaptic vesicular amine transporter 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104303 Z104303 CHEMBL1907609 Muscarinic acetylcholine receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104304 Z104304 CHEMBL1907610 Adrenergic receptor alpha-1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A_RAT P19327 CHEMBL273 Serotonin 1a (5-HT1a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B_RAT P28564 CHEMBL3459 Serotonin 1b (5-HT1b) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_HUMAN P28223 CHEMBL224 Serotonin 2a (5-HT2a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_HUMAN P28335 CHEMBL225 Serotonin 2c (5-HT2c) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_RAT P08909 CHEMBL324 Serotonin 2c (5-HT2c) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
A3EZI9_9HEPC A3EZI9 CHEMBL4893 Hepatitis C virus NS3 protease/helicase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_RAT P30543 CHEMBL302 Adenosine A2a receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2BR_RAT P29276 CHEMBL2592 Adenosine A2b receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM4_RAT P08485 CHEMBL317 Muscarinic acetylcholine receptor M4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AURKA_HUMAN O14965 CHEMBL4722 Serine/threonine-protein kinase Aurora-A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH3_HUMAN P07451 CHEMBL2885 Carbonic anhydrase III 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4_HUMAN P22748 CHEMBL3729 Carbonic anhydrase IV 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH7_HUMAN P43166 CHEMBL2326 Carbonic anhydrase VII 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DAPK3_HUMAN O43293 CHEMBL2468 Death-associated protein kinase 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_RAT P18901 CHEMBL265 Dopamine D1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_HUMAN P14416 CHEMBL217 Dopamine D2 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_RAT P61169 CHEMBL339 Dopamine D2 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DUS3_HUMAN P51452 CHEMBL2635 Dual specificity protein phosphatase 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EST1_RABIT P12337 CHEMBL2623 Acyl coenzyme A:cholesterol acyltransferase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1_BOVIN P08219 CHEMBL3627 GABA receptor alpha-1 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1_RAT P62813 CHEMBL343 GABA receptor alpha-1 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA2_BOVIN P10063 CHEMBL2321 GABA receptor alpha-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA3_BOVIN P10064 CHEMBL3628 GABA receptor alpha-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA4_BOVIN P20237 CHEMBL3140 GABA receptor alpha-4 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB1_BOVIN P08220 CHEMBL2848 GABA receptor beta-1 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB2_RAT P63138 CHEMBL295 GABA receptor beta-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2_BOVIN P22300 CHEMBL5138 GABA receptor gamma-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2_RAT P18508 CHEMBL297 GABA receptor gamma-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPR44_HUMAN Q9Y5Y4 CHEMBL5071 G protein-coupled receptor 44 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GSK3B_HUMAN P49841 CHEMBL262 Glycogen synthase kinase-3 beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_HUMAN Q8TDS4 CHEMBL3785 Nicotinic acid receptor 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNN3_RAT P70605 CHEMBL3780 Small conductance calcium-activated potassium channel protein 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KITH_HUMAN P04183 CHEMBL2883 Thymidine kinase, cytosolic 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KS6B1_HUMAN P23443 CHEMBL4501 Ribosomal protein S6 kinase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KTHY_MYCTU O05891 CHEMBL2361 Thymidylate kinase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LUCI_PHOPY P08659 CHEMBL5567 Luciferin 4-monooxygenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NFKB1_HUMAN P19838 CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1_RAT P35439 CHEMBL330 Glutamate (NMDA) receptor subunit zeta 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
OXDA_HUMAN P14920 CHEMBL5485 D-amino-acid oxidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PA2GA_HUMAN P14555 CHEMBL3474 Phospholipase A2 group IIA 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_HUMAN P23219 CHEMBL221 Cyclooxygenase-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_HUMAN P35354 CHEMBL230 Cyclooxygenase-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PK3CA_MOUSE P42337 CHEMBL2499 PI3-kinase p110-alpha subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PK3CD_HUMAN O00329 CHEMBL3130 PI3-kinase p110-delta subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PTPA_MYCTU P65716 CHEMBL4542 Probable low molecular weight protein-tyrosine-phosphatase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q3I4V7_CRYNV Q3I4V7 CHEMBL1697676 Carbonic anhydrase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q5AJ71_CANAL Q5AJ71 CHEMBL5337 Carbonic anhydrase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q8DNV6_STRR6 Q8DNV6 CHEMBL4319 UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q962Y6_SCHMA Q962Y6 CHEMBL6110 Thioredoxin glutathione reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ROCK1_HUMAN Q13464 CHEMBL3231 Rho-associated protein kinase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S1PR1_HUMAN P21453 CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S1PR5_HUMAN Q9H228 CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SAHH_HUMAN P23526 CHEMBL2664 Adenosylhomocysteinase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_RAT P31652 CHEMBL313 Serotonin transporter 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1_HUMAN Q99720 CHEMBL287 Sigma opioid receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SRC_HUMAN P12931 CHEMBL267 Tyrosine-protein kinase SRC 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TGT_ZYMMO P28720 CHEMBL2987 tRNA-guanine transglycosylase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
THRB_HUMAN P00734 CHEMBL204 Thrombin 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP3_BACSU P96583 CHEMBL4320 DNA topoisomerase III 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRY1_HUMAN P07477 CHEMBL209 Trypsin I 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRY2_HUMAN P07478 CHEMBL3159 Trypsin II 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TSPO_RAT P16257 CHEMBL4552 Peripheral-type benzodiazepine receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TTHY_HUMAN P02766 CHEMBL3194 Transthyretin 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100491 Z100491 CHEMBL613288 Sigma 2 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase