UCSF

HMDB Drug Metabolites

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

Binding 10μM Targets with Highest Number of Available Compounds (246 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
OPRD-1-E Delta opioid receptor (cluster #1 of 3) Eukaryotes 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRK-1-E Kappa opioid receptor (cluster #1 of 6) Eukaryotes 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A-3-E Alpha-1a adrenergic receptor (cluster #3 of 3) Eukaryotes 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRM-1-E Mu-type opioid receptor (cluster #1 of 4) Eukaryotes 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A-1-E Serotonin 2a (5-HT2a) receptor (cluster #1 of 3) Eukaryotes 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1B-1-E Alpha-1b adrenergic receptor (cluster #1 of 4) Eukaryotes 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D-1-E Alpha-1d adrenergic receptor (cluster #1 of 3) Eukaryotes 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4-3-E Serotonin transporter (cluster #3 of 4) Eukaryotes 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1-1-E Sigma opioid receptor (cluster #1 of 6) Eukaryotes 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A-1-E Serotonin 1a (5-HT1a) receptor (cluster #1 of 4) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B-1-E Serotonin 1b (5-HT1b) receptor (cluster #1 of 2) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1F-1-E Serotonin 1f (5-HT1f) receptor (cluster #1 of 2) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C-1-E Serotonin 2c (5-HT2c) receptor (cluster #1 of 3) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACH10-2-E Neuronal acetylcholine receptor protein alpha-10 subunit (cluster #2 of 4) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA3-4-E Neuronal acetylcholine receptor protein alpha-3 subunit (cluster #4 of 5) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA4-1-E Neuronal acetylcholine receptor protein alpha-4 subunit (cluster #1 of 5) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM2-4-E Muscarinic acetylcholine receptor M2 (cluster #4 of 6) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM3-1-E Muscarinic acetylcholine receptor M3 (cluster #1 of 5) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2-1-E HERG (cluster #1 of 5) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4-1-E Norepinephrine transporter (cluster #1 of 2) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A2-2-E Norepinephrine transporter (cluster #2 of 2) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D-1-E Serotonin 1d (5-HT1d) receptor (cluster #1 of 2) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B-1-E Serotonin 2b (5-HT2b) receptor (cluster #1 of 4) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT5A-1-E Serotonin 5a (5-HT5a) receptor (cluster #1 of 1) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT6R-1-E Serotonin 6 (5-HT6) receptor (cluster #1 of 2) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT7R-1-E Serotonin 7 (5-HT7) receptor (cluster #1 of 3) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B-1-E Alpha-2b adrenergic receptor (cluster #1 of 4) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2-1-E Beta-2 adrenergic receptor (cluster #1 of 2) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2-2-E Dopamine D2 receptor (cluster #2 of 24) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3-1-E Dopamine D3 receptor (cluster #1 of 2) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR1-1-E Estrogen receptor alpha (cluster #1 of 5) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR2-1-E Estrogen receptor beta (cluster #1 of 4) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1-2-E Histamine H1 receptor (cluster #2 of 2) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2-5-E HERG (cluster #5 of 5) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDR1-1-E P-glycoprotein 1 (cluster #1 of 3) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A-4-E Serotonin 1a (5-HT1a) receptor (cluster #4 of 4) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR-1-E Adenosine A2a receptor (cluster #1 of 4) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES-10-E Acetylcholinesterase (cluster #10 of 12) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA-4-E Acetylcholine receptor protein alpha chain (cluster #4 of 4) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA2-4-E Neuronal acetylcholine receptor protein alpha-2 subunit (cluster #4 of 6) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA5-4-E Neuronal acetylcholine receptor protein alpha-5 subunit (cluster #4 of 4) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA6-4-E Neuronal acetylcholine receptor subunit alpha-6 (cluster #4 of 4) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA7-1-E Neuronal acetylcholine receptor protein alpha-7 subunit (cluster #1 of 6) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA9-4-E Neuronal acetylcholine receptor protein alpha-9 subunit (cluster #4 of 4) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB-1-E Acetylcholine receptor protein beta chain (cluster #1 of 4) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB2-4-E Neuronal acetylcholine receptor protein beta-2 subunit (cluster #4 of 7) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB3-4-E Neuronal acetylcholine receptor subunit beta-3 (cluster #4 of 4) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB4-5-E Neuronal acetylcholine receptor subunit beta-4 (cluster #5 of 7) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHD-1-E Acetylcholine receptor protein delta chain (cluster #1 of 3) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHG-1-E Acetylcholine receptor protein gamma chain (cluster #1 of 3) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1-1-E Muscarinic acetylcholine receptor M1 (cluster #1 of 5) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM5-2-E Muscarinic acetylcholine receptor M5 (cluster #2 of 4) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A-1-E Alpha-1a adrenergic receptor (cluster #1 of 3) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A-1-E Alpha-2a adrenergic receptor (cluster #1 of 4) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1-1-E Beta-1 adrenergic receptor (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GUAD-1-E Guanine deaminase (cluster #1 of 1) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1-1-E Histamine H1 receptor (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1-1-E Cyclooxygenase-1 (cluster #1 of 6) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q63380-1-E Transporter (cluster #1 of 1) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72547-1-V Human immunodeficiency virus type 1 reverse transcriptase (cluster #1 of 6) Viruses 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q8BGP7-1-E Neuronal acetylcholine receptor protein beta-2 subunit (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3-1-E Dopamine transporter (cluster #1 of 3) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3-2-E Dopamine transporter (cluster #2 of 3) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3-3-E Dopamine transporter (cluster #3 of 3) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
VMAT2-1-E Synaptic vesicular amine transporter (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104283-1-O Neuronal acetylcholine receptor; alpha4/beta2 (cluster #1 of 4) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104290-1-O Neuronal acetylcholine receptor; alpha4/beta2 (cluster #1 of 4) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D-2-E Serotonin 1d (5-HT1d) receptor (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT4R-1-E Serotonin 4 (5-HT4) receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT5B-1-E Serotonin 5b (5-HT5b) receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R-2-E Adenosine A1 receptor (cluster #2 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2BR-1-E Adenosine A2b receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM4-3-E Muscarinic acetylcholine receptor M4 (cluster #3 of 6) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A-3-E Alpha-2a adrenergic receptor (cluster #3 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C-1-E Alpha-2c adrenergic receptor (cluster #1 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C-3-E Alpha-2c adrenergic receptor (cluster #3 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY1-1-E Brain adenylate cyclase 1 (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY2-2-E Adenylate cyclase type II (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY8-1-E Adenylate cyclase type VIII (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB3-1-E Beta-3 adrenergic receptor (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTR2-1-E Angiotensin II type 2 (AT-2) receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTRA-1-E Angiotensin II type 1a (AT-1a) receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTRB-1-E Angiotensin II type 1b (AT-1b) receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR-2-E Androgen Receptor (cluster #2 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4-6-E Carbonic anhydrase IV (cluster #6 of 16) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1-1-E Dopamine D1 receptor (cluster #1 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4-3-E Dopamine D4 receptor (cluster #3 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
EPYC-1-E Small chondroitin/dermatan sulfate proteoglycan (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB3-1-E GABA receptor beta-3 subunit (cluster #1 of 6) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2-1-E GABA receptor gamma-2 subunit (cluster #1 of 7) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
IMDH1-1-E Inosine-5'-monophosphate dehydrogenase 1 (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
IMDH2-1-E Inosine-5'-monophosphate dehydrogenase 2 (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2-4-E HERG (cluster #4 of 5) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MCR-1-E Mineralocorticoid receptor (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRX-1-E Nociceptin receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2-4-E Cyclooxygenase-2 (cluster #4 of 8) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A2-1-E Norepinephrine transporter (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4-4-E Serotonin transporter (cluster #4 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN1A-1-E Sodium channel protein type I alpha subunit (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN2A-1-E Sodium channel protein type II alpha subunit (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN3A-1-E Sodium channel protein type III alpha subunit (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN8A-1-E Sodium channel protein type VIII alpha subunit (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SRC-1-E Tyrosine-protein kinase SRC (cluster #1 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100251-1-O Monoclonal antibody (mAb) 2E2 (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100491-1-O Sigma 2 receptor (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104281-2-O Neuronal acetylcholine receptor; alpha3/beta2 (cluster #2 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-1-O Rattus norvegicus (cluster #1 of 5) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B-2-E Serotonin 2b (5-HT2b) receptor (cluster #2 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C-2-E Serotonin 2c (5-HT2c) receptor (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A-1-E Serotonin 3a (5-HT3a) receptor (cluster #1 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A-2-E Serotonin 3a (5-HT3a) receptor (cluster #2 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3B-2-E Serotonin 3b (5-HT3b) receptor (cluster #2 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3C-2-E Serotonin 3c (5-HT3c) receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3D-2-E Serotonin 3d (5-HT3d) receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3E-2-E Serotonin 3e (5-HT3e) receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
A2AMW3-2-E GABA receptor epsilon subunit (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA3R-2-E Adenosine receptor A3 (cluster #2 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABL1-1-E Tyrosine-protein kinase ABL (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACE-1-E Angiotensin-converting enzyme (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHP-2-E Acetylcholine-binding protein (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1-3-E Muscarinic acetylcholine receptor M1 (cluster #3 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM4-1-E Muscarinic acetylcholine receptor M4 (cluster #1 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A-2-E Alpha-1a adrenergic receptor (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY2-1-E Adenylate cyclase type II (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY3-1-E Adenylate cyclase type III (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY4-1-E Adenylate cyclase type IV (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY5-1-E Adenylate cyclase type V (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY6-1-E Adenylate cyclase type VI (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY8-2-E Adenylate cyclase type VIII (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTR1-1-E Type-1 angiotensin II receptor (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR-1-E Androgen Receptor (cluster #1 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR-4-E Androgen Receptor (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH1-4-E Carbonic anhydrase I (cluster #4 of 12) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH1-5-E Carbonic anhydrase I (cluster #5 of 12) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH10-1-E Carbonic anhydrase-related protein 10 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH11-1-E Carbonic anhydrase-related protein 2 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH12-1-E Carbonic anhydrase XII (cluster #1 of 9) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH12-4-E Carbonic anhydrase XII (cluster #4 of 9) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH13-1-E Carbonic anhydrase XIII (cluster #1 of 7) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH14-1-E Carbonic anhydrase XIV (cluster #1 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH15-1-E Carbonic anhydrase 15 (cluster #1 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2-5-E Carbonic anhydrase II (cluster #5 of 15) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2-6-E Carbonic anhydrase II (cluster #6 of 15) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH3-1-E Carbonic anhydrase III (cluster #1 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH3-2-E Carbonic anhydrase III (cluster #2 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4-1-E Carbonic anhydrase IV (cluster #1 of 16) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5A-1-E Carbonic anhydrase VA (cluster #1 of 10) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5B-1-E Carbonic anhydrase VB (cluster #1 of 9) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH6-7-E Carbonic anhydrase VI (cluster #7 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH7-1-E Carbonic anhydrase VII (cluster #1 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH7-4-E Carbonic anhydrase VII (cluster #4 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH8-1-E Carbonic anhydrase-related protein 8 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH9-1-E Carbonic anhydrase IX (cluster #1 of 11) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CHLE-1-E Butyrylcholinesterase (cluster #1 of 7) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP19A-2-E Cytochrome P450 19A1 (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1B1-1-E Cytochrome P450 1B1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DHB1-1-E Estradiol 17-beta-dehydrogenase 1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DNM3B-1-E DNA (cytosine-5)-methyltransferase 3B (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DNMT1-1-E DNA (cytosine-5)-methyltransferase 1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2-1-E Dopamine D2 receptor (cluster #1 of 24) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2-4-E Dopamine D2 receptor (cluster #4 of 24) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRTS-3-E Bifunctional dihydrofolate reductase-thymidylate synthase (cluster #3 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR-1-F Dihydrofolate reductase (cluster #1 of 1) Fungi 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR-2-E Dihydrofolate reductase (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR-1-E Epidermal growth factor receptor erbB1 (cluster #1 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EPHB4-1-E Ephrin type-B receptor 4 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERR1-1-E Estrogen-related receptor alpha (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERR2-1-E Estrogen-related receptor beta (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERR3-1-E Estrogen-related receptor gamma (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
F16P1-1-E Fructose-1,6-bisphosphatase 1 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FABPL-1-E Fatty acid-binding protein, liver (cluster #1 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FYN-5-E Tyrosine-protein kinase FYN (cluster #5 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
G3P-2-E Glyceraldehyde-3-phosphate dehydrogenase liver (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1-1-E GABA receptor alpha-1 subunit (cluster #1 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1-3-E GABA receptor alpha-1 subunit (cluster #3 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA2-1-E GABA receptor alpha-2 subunit (cluster #1 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA3-1-E GABA receptor alpha-3 subunit (cluster #1 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA4-1-E GABA receptor alpha-4 subunit (cluster #1 of 7) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA5-6-E GABA receptor alpha-5 subunit (cluster #6 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA6-2-E GABA receptor alpha-6 subunit (cluster #2 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB1-1-E GABA receptor beta-1 subunit (cluster #1 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRD-1-E GABA receptor delta subunit (cluster #1 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG1-1-E GABA receptor gamma-1 subunit (cluster #1 of 7) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG3-2-E GABA receptor gamma-3 subunit (cluster #2 of 7) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRP-1-E GABA receptor pi subunit (cluster #1 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRT-2-E GABA receptor theta subunit (cluster #2 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GCR-2-E Glucocorticoid receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GLNA-1-E Glutamine synthetase (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPER-1-E G-protein coupled estrogen receptor 1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPR44-1-E G protein-coupled receptor 44 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GSTK1-1-E Glutathione S-transferase kappa 1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GYRA-1-B DNA gyrase subunit A (cluster #1 of 1) Bacteria 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GYRB-1-B DNA gyrase subunit B (cluster #1 of 1) Bacteria 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCK-1-E Tyrosine-protein kinase HCK (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
INMT-1-E Indolethylamine N-methyltransferase (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2-3-E HERG (cluster #3 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LCK-4-E Tyrosine-protein kinase LCK (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTOR-2-E Serine/threonine-protein kinase mTOR (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1A-1-E Melatonin receptor 1A (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1B-1-E Melatonin receptor 1B (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1C-1-E Melatonin receptor 1C (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NISCH-1-E Nischarin (cluster #1 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRM-4-E Mu-type opioid receptor (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PARC-1-B Topoisomerase IV subunit A (cluster #1 of 1) Bacteria 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE3A-1-E Phosphodiesterase 3A (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE3B-1-E Phosphodiesterase 3B (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDR5-1-F Pleiotropic ABC efflux transporter of multiple drugs (cluster #1 of 1) Fungi 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2-1-E Cyclooxygenase-2 (cluster #1 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2-6-E Cyclooxygenase-2 (cluster #6 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2-8-E Cyclooxygenase-2 (cluster #8 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PI4KB-1-E PI4-kinase beta subunit (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PK3CA-2-E PI3-kinase p110-alpha subunit (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PK3CB-2-E PI3-kinase p110-beta subunit (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PK3CD-2-E PI3-kinase p110-delta subunit (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PK3CG-2-E PI3-kinase p110-gamma subunit (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PLD1-1-E Phospholipase D1 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PLD2-1-E Phospholipase D2 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRGR-1-E Progesterone receptor (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRKDC-1-E DNA-dependent protein kinase (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PYRD-1-E Dihydroorotate dehydrogenase (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72874-1-V Human immunodeficiency virus type 1 protease (cluster #1 of 3) Viruses 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4-2-E Norepinephrine transporter (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S22A6-2-E Solute carrier family 22 member 6 (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1-4-E Sigma opioid receptor (cluster #4 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SHBG-1-E Testis-specific androgen-binding protein (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
THYX-1-B Thymidylate synthase thyX (cluster #1 of 1) Bacteria 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP1-1-E DNA topoisomerase 1 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPA1-3-E Transient receptor potential cation channel subfamily A member 1 (cluster #3 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYRO-6-F Tyrosinase (cluster #6 of 8) Fungi 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYSY-1-B Thymidylate synthase (cluster #1 of 1) Bacteria 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYSY-1-E Thymidylate synthase (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYSY-3-E Thymidylate synthase (cluster #3 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR2-1-E Vascular endothelial growth factor receptor 2 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104282-1-O Acetylcholine receptor; alpha1/beta1/delta/gamma (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104284-1-O Neuronal acetylcholine receptor; alpha2/beta4 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104285-1-O Neuronal acetylcholine receptor; alpha4/beta4 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104286-2-O Neuronal acetylcholine receptor; alpha2/beta2 (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104287-3-O Neuronal acetylcholine receptor; alpha3/beta4 (cluster #3 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104288-1-O Neuronal acetylcholine receptor; alpha3/beta4 (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104289-2-O Neuronal acetylcholine receptor; alpha4/beta4 (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104301-1-O GABA-A receptor; anion channel (cluster #1 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104301-4-O GABA-A receptor; anion channel (cluster #4 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104304-2-O Adrenergic receptor alpha-1 (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104304-3-O Adrenergic receptor alpha-1 (cluster #3 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-1-O Mus musculus (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-2-O Rattus norvegicus (cluster #2 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase