UCSF

Otava (Virtual)

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

Binding 1μM Targets with Highest Number of Available Compounds (283 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
CAH2_HUMAN P00918 CHEMBL205 Carbonic anhydrase II 76 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH1_HUMAN P00915 CHEMBL261 Carbonic anhydrase I 69 Annotations Catalogs SMILES SDF Mol2 Flexibase
HYES_HUMAN P34913 CHEMBL2409 Epoxide hydratase 37 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH9_HUMAN Q16790 CHEMBL3594 Carbonic anhydrase IX 36 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH12_HUMAN O43570 CHEMBL3242 Carbonic anhydrase XII 32 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1A_CHICK P49285 CHEMBL4555 Melatonin receptor 1A 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1B_CHICK P51050 CHEMBL4466 Melatonin receptor 1B 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1C_CHICK P49288 CHEMBL3196 Melatonin receptor 1C 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4_BOVIN Q95323 CHEMBL281 Carbonic anhydrase IV 27 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1_HUMAN Q99720 CHEMBL287 Sigma opioid receptor 26 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFA_BOVIN P21398 CHEMBL3254 Monoamine oxidase A 24 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100491 Z100491 CHEMBL613288 Sigma 2 receptor 21 Annotations Catalogs SMILES SDF Mol2 Flexibase
P96878_MYCTU P96878 CHEMBL5767 PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 19 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1B_HUMAN P49286 CHEMBL1946 Melatonin receptor 1B 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
Y1284_MYCTU P64797 CHEMBL5631 Uncharacterized protein Rv1284/MT1322 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1_BOVIN P08219 CHEMBL3627 GABA receptor alpha-1 subunit 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA2_BOVIN P10063 CHEMBL2321 GABA receptor alpha-2 subunit 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA3_BOVIN P10064 CHEMBL3628 GABA receptor alpha-3 subunit 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA4_BOVIN P20237 CHEMBL3140 GABA receptor alpha-4 subunit 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB1_BOVIN P08220 CHEMBL2848 GABA receptor beta-1 subunit 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2_BOVIN P22300 CHEMBL5138 GABA receptor gamma-2 subunit 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72547_9HIV1 Q72547 CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1A_HUMAN P48039 CHEMBL1945 Melatonin receptor 1A 14 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R_RAT P25099 CHEMBL318 Adenosine A1 receptor 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5A_MOUSE P23589 CHEMBL2330 Carbonic anhydrase VA 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5B_MOUSE Q9QZA0 CHEMBL4634 Carbonic anhydrase VB 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_HUMAN P21917 CHEMBL219 Dopamine D4 receptor 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_HUMAN P22303 CHEMBL220 Acetylcholinesterase 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH7_HUMAN P43166 CHEMBL2326 Carbonic anhydrase VII 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
HYES_MOUSE P34914 CHEMBL4140 Epoxide hydratase 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR_HUMAN P00533 CHEMBL203 Epidermal growth factor receptor erbB1 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
FLT3_HUMAN P36888 CHEMBL1974 Tyrosine-protein kinase receptor FLT3 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFB_BOVIN P56560 CHEMBL2756 Monoamine oxidase B 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR2_HUMAN P35968 CHEMBL279 Vascular endothelial growth factor receptor 2 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A_RAT P19327 CHEMBL273 Serotonin 1a (5-HT1a) receptor 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_ELEEL O42275 CHEMBL4078 Acetylcholinesterase 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5A_HUMAN P35218 CHEMBL4789 Carbonic anhydrase VA 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5B_HUMAN Q9Y2D0 CHEMBL3969 Carbonic anhydrase VB 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
DHI1_HUMAN P28845 CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH4_HUMAN Q9H3N8 CHEMBL3759 Histamine H4 receptor 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
NR1H2_HUMAN P55055 CHEMBL4093 LXR-beta 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH14_HUMAN Q9ULX7 CHEMBL3510 Carbonic anhydrase XIV 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
NR1H3_HUMAN Q13133 CHEMBL2808 LXR-alpha 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_RAT P37136 CHEMBL3199 Acetylcholinesterase 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4_HUMAN P22748 CHEMBL3729 Carbonic anhydrase IV 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
INHA_MYCTU P0A5Y6 CHEMBL1849 Enoyl-[acyl-carrier-protein] reductase 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE4B_HUMAN Q07343 CHEMBL275 Phosphodiesterase 4B 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_RAT P30543 CHEMBL302 Adenosine A2a receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA3R_HUMAN P33765 CHEMBL256 Adenosine A3 receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFA_RAT P21396 CHEMBL3358 Monoamine oxidase A 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFB_HUMAN P27338 CHEMBL2039 Monoamine oxidase B 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH13_MOUSE Q9D6N1 CHEMBL2186 Carbonic anhydrase XIII 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR1_HUMAN P21554 CHEMBL218 Cannabinoid CB1 receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
DHI1_MOUSE P50172 CHEMBL3910 11-beta-hydroxysteroid dehydrogenase 1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_RAT P31424 CHEMBL2564 Metabotropic glutamate receptor 5 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1_HUMAN P35367 CHEMBL231 Histamine H1 receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK08_HUMAN P45983 CHEMBL2276 c-Jun N-terminal kinase 1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK14_HUMAN Q16539 CHEMBL260 MAP kinase p38 alpha 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE4D_HUMAN Q08499 CHEMBL288 Phosphodiesterase 4D 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
THAS_RAT P49430 CHEMBL4028 Thromboxane-A synthase 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_HUMAN P28335 CHEMBL225 Serotonin 2c (5-HT2c) receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT7R_HUMAN P34969 CHEMBL3155 Serotonin 7 (5-HT7) receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACE_HUMAN P12821 CHEMBL1808 Angiotensin-converting enzyme 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_HUMAN P08588 CHEMBL213 Beta-1 adrenergic receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_HUMAN P07550 CHEMBL210 Beta-2 adrenergic receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CYNT_HELPY O24855 CHEMBL4211 Carbonic anhydrase 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_HUMAN P14416 CHEMBL217 Dopamine D2 receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GCR_RAT P06536 CHEMBL3368 Glucocorticoid receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPR44_HUMAN Q9Y5Y4 CHEMBL5071 G protein-coupled receptor 44 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM4_RAT P31423 CHEMBL2787 Metabotropic glutamate receptor 4 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
LKHA4_HUMAN P09960 CHEMBL4618 Leukotriene A4 hydrolase 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
MIF_HUMAN P14174 CHEMBL2085 Macrophage migration inhibitory factor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_SHEEP P05979 CHEMBL2949 Cyclooxygenase-1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPCE_HUMAN P48147 CHEMBL3202 Prolyl endopeptidase 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPIA_HUMAN P62937 CHEMBL1949 Cyclophilin A 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1_MOUSE Q923Y8 CHEMBL4908 Trace amine-associated receptor1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_HUMAN P28223 CHEMBL224 Serotonin 2a (5-HT2a) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_HUMAN P41595 CHEMBL1833 Serotonin 2b (5-HT2b) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
A4_HUMAN P05067 CHEMBL2487 Beta amyloid A4 protein 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_TORCA P04058 CHEMBL4780 Acetylcholinesterase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACE_RABIT P12822 CHEMBL4074 Angiotensin-converting enzyme 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACE_RAT P47820 CHEMBL2625 Angiotensin-converting enzyme 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACH10_RAT Q9JLB5 CHEMBL3461 Neuronal acetylcholine receptor protein alpha-10 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA3_RAT P04757 CHEMBL3818 Neuronal acetylcholine receptor protein alpha-3 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA4_RAT P09483 CHEMBL307 Neuronal acetylcholine receptor protein alpha-4 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_RAT P18090 CHEMBL3252 Beta-1 adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_CANFA P54833 CHEMBL2289 Beta-2 adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB3_RAT P26255 CHEMBL4031 Beta-3 adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AMPM_ECOLI P0AE18 CHEMBL3423 Methionine aminopeptidase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ATP4A_HUMAN P20648 CHEMBL1802 Potassium-transporting ATPase alpha chain 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ATP4B_HUMAN P51164 CHEMBL5207 Potassium-transporting ATPase beta chain 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1C_HUMAN Q13936 CHEMBL1940 Voltage-gated L-type calcium channel alpha-1C subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1D_HUMAN Q01668 CHEMBL4138 Voltage-gated L-type calcium channel alpha-1D subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH13_HUMAN Q8N1Q1 CHEMBL3912 Carbonic anhydrase XIII 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH15_MOUSE Q99N23 CHEMBL5973 Carbonic anhydrase 15 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH3_HUMAN P07451 CHEMBL2885 Carbonic anhydrase III 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH6_HUMAN P23280 CHEMBL3025 Carbonic anhydrase VI 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP17A_HUMAN P05093 CHEMBL3522 Cytochrome P450 17A1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_HUMAN P35462 CHEMBL234 Dopamine D3 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1_HUMAN P14867 CHEMBL1962 GABA receptor alpha-1 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA2_HUMAN P47869 CHEMBL4956 GABA receptor alpha-2 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA3_HUMAN P34903 CHEMBL3026 GABA receptor alpha-3 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_HUMAN P41594 CHEMBL3227 Metabotropic glutamate receptor 5 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GSTK1_HUMAN Q9Y2Q3 CHEMBL4491 Glutathione S-transferase kappa 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
IRAK4_HUMAN Q9NWZ3 CHEMBL3778 Interleukin-1 receptor-associated kinase 4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2_HUMAN Q12809 CHEMBL240 HERG 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MRP1_HUMAN P33527 CHEMBL3004 Multidrug resistance-associated protein 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMD3A_HUMAN Q8TCU5 CHEMBL4787 Glutamate [NMDA] receptor subunit 3A 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMD3B_HUMAN O60391 CHEMBL2913 Glutamate [NMDA] receptor subunit 3B 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE1_HUMAN Q12879 CHEMBL1972 Glutamate [NMDA] receptor subunit epsilon 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE2_HUMAN Q13224 CHEMBL1904 Glutamate [NMDA] receptor subunit epsilon 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE2_RAT Q00960 CHEMBL311 Glutamate [NMDA] receptor subunit epsilon 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE3_HUMAN Q14957 CHEMBL4109 Glutamate [NMDA] receptor subunit epsilon 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE4_HUMAN O15399 CHEMBL2591 Glutamate [NMDA] receptor subunit epsilon 4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1_HUMAN Q05586 CHEMBL2015 Glutamate (NMDA) receptor subunit zeta 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS1_HUMAN P29475 CHEMBL3568 Nitric-oxide synthase, brain 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
O77823_PIG O77823 CHEMBL3333 Phosphodiesterase 4A 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
P95276_MYCTU P95276 CHEMBL1795155 Epoxide hydrolase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PARP1_HUMAN P09874 CHEMBL3105 Poly [ADP-ribose] polymerase-1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_HUMAN P23219 CHEMBL221 Cyclooxygenase-1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_RAT Q63921 CHEMBL4042 Cyclooxygenase-1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_HUMAN P35354 CHEMBL230 Cyclooxygenase-2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_RAT P35355 CHEMBL2977 Cyclooxygenase-2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_SHEEP P79208 CHEMBL4102 Cyclooxygenase-2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TF65_HUMAN Q04206 CHEMBL5533 Nuclear factor NF-kappa-B p65 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104297 Z104297 CHEMBL1907603 Glutamate NMDA receptor; GRIN1/GRIN2B 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104301 Z104301 CHEMBL1907607 GABA-A receptor; anion channel 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104304 Z104304 CHEMBL1907610 Adrenergic receptor alpha-1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B_RAT P28564 CHEMBL3459 Serotonin 1b (5-HT1b) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D_RAT P28565 CHEMBL5450 Serotonin 1d (5-HT1d) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1F_RAT P30940 CHEMBL4646 Serotonin 1f (5-HT1f) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_RAT P14842 CHEMBL322 Serotonin 2a (5-HT2a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_RAT P30994 CHEMBL323 Serotonin 2b (5-HT2b) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_RAT P08909 CHEMBL324 Serotonin 2c (5-HT2c) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_HUMAN P46098 CHEMBL1899 Serotonin 3a (5-HT3a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3B_HUMAN O95264 CHEMBL3895 Serotonin 3b (5-HT3b) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3C_HUMAN Q8WXA8 CHEMBL4795 Serotonin 3c (5-HT3c) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3D_HUMAN Q70Z44 CHEMBL4673 Serotonin 3d (5-HT3d) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3E_HUMAN A5X5Y0 CHEMBL3812 Serotonin 3e (5-HT3e) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R_HUMAN P30542 CHEMBL226 Adenosine A1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_HUMAN P29274 CHEMBL251 Adenosine A2a receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABL1_HUMAN P00519 CHEMBL1862 Tyrosine-protein kinase ABL 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACE2_HUMAN Q9BYF1 CHEMBL3736 Angiotensin-converting enzyme 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACE2_RAT Q5EGZ1 CHEMBL2311 Angiotensin-converting enzyme-related carboxypeptidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA2_RAT P12389 CHEMBL2584 Neuronal acetylcholine receptor protein alpha-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA5_RAT P20420 CHEMBL4960 Neuronal acetylcholine receptor protein alpha-5 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA6_RAT P43143 CHEMBL4747 Neuronal acetylcholine receptor protein alpha-6 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA7_RAT Q05941 CHEMBL4980 Neuronal acetylcholine receptor protein alpha-7 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA9_RAT P43144 CHEMBL2585 Neuronal acetylcholine receptor protein alpha-9 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA_RAT P25108 CHEMBL3599 Acetylcholine receptor protein alpha chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB2_RAT P12390 CHEMBL3001 Neuronal acetylcholine receptor protein beta-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB3_RAT P12391 CHEMBL4568 Neuronal acetylcholine receptor protein beta-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB4_RAT P12392 CHEMBL2658 Neuronal acetylcholine receptor protein beta-4 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB_RAT P25109 CHEMBL2666 Acetylcholine receptor protein beta chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHP_LYMST P58154 CHEMBL6084 Acetylcholine-binding protein 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_RAT P08482 CHEMBL276 Muscarinic acetylcholine receptor M1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A_HUMAN P35348 CHEMBL229 Alpha-1a adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1B_HUMAN P35368 CHEMBL232 Alpha-1b adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D_HUMAN P25100 CHEMBL223 Alpha-1d adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_HUMAN P08913 CHEMBL1867 Alpha-2a adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_RAT P22909 CHEMBL327 Alpha-2a adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B_HUMAN P18089 CHEMBL1942 Alpha-2b adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B_RAT P19328 CHEMBL266 Alpha-2b adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C_HUMAN P18825 CHEMBL1916 Alpha-2c adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C_RAT P22086 CHEMBL314 Alpha-2c adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AK1C3_HUMAN P42330 CHEMBL4681 Aldo-keto-reductase family 1 member C3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR_HUMAN P10275 CHEMBL1871 Androgen Receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOC3_HUMAN Q16853 CHEMBL3437 Amine oxidase, copper containing 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BCR_HUMAN P11274 CHEMBL5146 Breakpoint cluster region protein 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
C11B2_HUMAN P19099 CHEMBL2722 Cytochrome P450 11B2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CA2D1_RAT P54290 CHEMBL3420 Voltage-gated calcium channel alpha2/delta subunit 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1B_RAT Q02294 CHEMBL5107 Voltage-gated N-type calcium channel alpha-1B subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1C_RABIT P15381 CHEMBL2830 Voltage-gated L-type calcium channel alpha-1C subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1C_RAT P22002 CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1D_RAT P27732 CHEMBL4132 Voltage-gated L-type calcium channel alpha-1D subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1F_HUMAN O60840 CHEMBL5593 Voltage-gated L-type calcium channel alpha-1F subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1S_HUMAN Q13698 CHEMBL3805 Voltage-gated L-type calcium channel alpha-1S subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1S_RAT Q02485 CHEMBL4108 Voltage-gated L-type calcium channel alpha-1S subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CACB1_RAT P54283 CHEMBL1075136 Voltage-dependent L-type calcium channel subunit beta-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNB1_HUMAN P14635 CHEMBL2412 G2/mitotic-specific cyclin B1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNB2_HUMAN O95067 CHEMBL3723 G2/mitotic-specific cyclin B2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNB3_HUMAN Q8WWL7 CHEMBL3606 G2/mitotic-specific cyclin B3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCND2_HUMAN P30279 CHEMBL3613 G1/S-specific cyclin D2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNE1_HUMAN P24864 CHEMBL3617 G1/S-specific cyclin E1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNE2_HUMAN O96020 CHEMBL2884 G1/S-specific cyclin E2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDC7_HUMAN O00311 CHEMBL5443 Cell division cycle 7-related protein kinase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK1_HUMAN P06493 CHEMBL308 Cyclin-dependent kinase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK2_HUMAN P24941 CHEMBL301 Cyclin-dependent kinase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK4_HUMAN P11802 CHEMBL331 Cyclin-dependent kinase 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CHLE_HUMAN P06276 CHEMBL1914 Butyrylcholinesterase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP51_MYCTU P0A512 CHEMBL5090 Lanosterol 14-alpha demethylase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CTRA_BOVIN P00766 CHEMBL3314 Alpha-chymotrypsin 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR1_HUMAN P25024 CHEMBL4029 Interleukin-8 receptor A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_RAT P61169 CHEMBL339 Dopamine D2 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_RAT P19020 CHEMBL3138 Dopamine D3 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR_HUMAN P00374 CHEMBL202 Dihydrofolate reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EBP_CAVPO Q60490 CHEMBL5525 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EDNRA_RAT P26684 CHEMBL4566 Endothelin receptor ET-A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EPHB3_HUMAN P54753 CHEMBL4901 Ephrin type-B receptor 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERG1_HUMAN Q14534 CHEMBL3592 Squalene monooxygenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR1_RAT P06211 CHEMBL2724 Estrogen receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR2_RAT Q62986 CHEMBL3021 Estrogen receptor beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EST1_HUMAN P23141 CHEMBL2265 Acyl coenzyme A:cholesterol acyltransferase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EST1_RABIT P12337 CHEMBL2623 Acyl coenzyme A:cholesterol acyltransferase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EST2_HUMAN O00748 CHEMBL3180 Carboxylesterase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FAAH1_RAT P97612 CHEMBL3229 Anandamide amidohydrolase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FNTA_BOVIN P29702 CHEMBL2377 Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FNTB_BOVIN P49355 CHEMBL4671 Protein farnesyltransferase beta subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FOLR1_HUMAN P15328 CHEMBL2121 Folate receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FOLR2_HUMAN P14207 CHEMBL5064 Folate receptor beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FOLR3_HUMAN P41439 CHEMBL3885 Folate receptor gamma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FPPS_HUMAN P14324 CHEMBL1782 Farnesyl diphosphate synthase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1_RAT P62813 CHEMBL343 GABA receptor alpha-1 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA2_RAT P23576 CHEMBL341 GABA receptor alpha-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA4_HUMAN P48169 CHEMBL2472 GABA receptor alpha-4 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA5_RAT P19969 CHEMBL300 GABA receptor alpha-5 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB2_HUMAN P47870 CHEMBL1920 GABA receptor beta-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB3_HUMAN P28472 CHEMBL1847 GABA receptor beta-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2_HUMAN P18507 CHEMBL1788 GABA receptor gamma-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GCR_HUMAN P04150 CHEMBL2034 Glucocorticoid receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GSHR_HUMAN P00390 CHEMBL2755 Glutathione reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GSK3B_HUMAN P49841 CHEMBL262 Glycogen synthase kinase-3 beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC1_HUMAN Q13547 CHEMBL325 Histone deacetylase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC2_HUMAN Q92769 CHEMBL1937 Histone deacetylase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC3_HUMAN O15379 CHEMBL1829 Histone deacetylase 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HPGDS_HUMAN O60760 CHEMBL5879 Hematopoietic prostaglandin D synthase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH3_HUMAN Q9Y5N1 CHEMBL264 Histamine H3 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HYES_RAT P80299 CHEMBL5669 Epoxide hydrolase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ICAM1_HUMAN P05362 CHEMBL3070 Intercellular adhesion molecule-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
IL8_HUMAN P10145 CHEMBL2157 Interleukin-8 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ITAL_HUMAN P20701 CHEMBL1803 Leukocyte adhesion glycoprotein LFA-1 alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ITK_HUMAN Q08881 CHEMBL2959 Tyrosine-protein kinase ITK/TSK 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
JAK3_HUMAN P52333 CHEMBL2148 Tyrosine-protein kinase JAK3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KIT_HUMAN P10721 CHEMBL1936 Stem cell growth factor receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KMO_RAT O88867 CHEMBL3457 Kynurenine 3-monooxygenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LUCI_LUCLA Q01158 CHEMBL3701 Luciferase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MCHR1_HUMAN Q99705 CHEMBL344 Melanin-concentrating hormone receptor 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MCR_HUMAN P08235 CHEMBL1994 Mineralocorticoid receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDHC_HUMAN P40925 CHEMBL3560 Malate dehydrogenase cytoplasmic 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDHM_PIG P00346 CHEMBL3444 Malate dehydrogenase mitochondrial 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDR1_HUMAN P08183 CHEMBL4302 P-glycoprotein 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MGLL_HUMAN Q99685 CHEMBL4191 Monoglyceride lipase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK10_HUMAN P53779 CHEMBL2637 c-Jun N-terminal kinase 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK11_HUMAN Q15759 CHEMBL3961 MAP kinase p38 beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK12_HUMAN P53778 CHEMBL4674 MAP kinase p38 gamma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK13_HUMAN O15264 CHEMBL2939 MAP kinase p38 delta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMD3A_RAT Q9R1M7 CHEMBL342 Glutamate [NMDA] receptor subunit 3A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMD3B_RAT Q8VHN2 CHEMBL282 Glutamate [NMDA] receptor subunit 3B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1_RAT P35439 CHEMBL330 Glutamate (NMDA) receptor subunit zeta 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS2_HUMAN P35228 CHEMBL4481 Nitric oxide synthase, inducible 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS2_MOUSE P29477 CHEMBL3464 Nitric oxide synthase, inducible 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS3_HUMAN P29474 CHEMBL4803 Nitric-oxide synthase, endothelial 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
O93874_CURLU O93874 CHEMBL3925 17-beta-hydroxysteroid-dehydrogenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2Y12_HUMAN Q9H244 CHEMBL2001 Purinergic receptor P2Y12 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE4A_HUMAN P27815 CHEMBL254 Phosphodiesterase 4A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_BOVIN O62664 CHEMBL2860 Cyclooxygenase-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_MOUSE Q05769 CHEMBL4321 Cyclooxygenase-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGTB1_HUMAN P53609 CHEMBL4135 Geranylgeranyl transferase type I beta subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPBT_HUMAN P05186 CHEMBL5979 Alkaline phosphatase, tissue-nonspecific isozyme 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPCE_PIG P23687 CHEMBL2461 Prolyl endopeptidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRGR_HUMAN P06401 CHEMBL208 Progesterone receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PTGDS_MOUSE O09114 CHEMBL4334 Prostaglandin-H2 D-isomerase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PYRD_MOUSE O35435 CHEMBL2991 Dihydroorotate dehydrogenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PYRD_RAT Q63707 CHEMBL2383 Dihydroorotate dehydrogenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q0GKD7_LEIDO Q0GKD7 CHEMBL3693 Farnesyl pyrophosphate synthase 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
Q79MP6_PSEAI Q79MP6 CHEMBL1293244 Beta-lactamase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RAF1_HUMAN P04049 CHEMBL1906 Serine/threonine-protein kinase RAF 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RENI_HUMAN P00797 CHEMBL286 Renin 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S22A6_MOUSE Q8VC69 CHEMBL5653 Solute carrier family 22 member 6 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1_CAVPO Q60492 CHEMBL4153 Sigma-1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1_RAT Q9R0C9 CHEMBL3602 Sigma opioid receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SOAT1_HUMAN P35610 CHEMBL2782 Acyl coenzyme A:cholesterol acyltransferase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TGM2_HUMAN P21980 CHEMBL2730 Protein-glutamine gamma-glutamyltransferase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
THAS_HUMAN P24557 CHEMBL1835 Thromboxane-A synthase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
THRB_HUMAN P00734 CHEMBL204 Thrombin 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TSPO_RAT P16257 CHEMBL4552 Peripheral-type benzodiazepine receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYTR_TRYCR P28593 CHEMBL5131 Trypanothione reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
UREA_CANEN P07374 CHEMBL4161 Urease 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104290 Z104290 CHEMBL1907596 Neuronal acetylcholine receptor; alpha4/beta2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104295 Z104295 CHEMBL1907601 Cyclin-dependent kinase 4/cyclin D1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50442 Z50442 CHEMBL366 Candida albicans 1 Annotations Catalogs SMILES SDF Mol2 Flexibase