UCSF

DrugBank-withdrawn

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

Binding 10μM Targets with Highest Number of Available Compounds (100 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
KCNH2-1-E HERG (cluster #1 of 5) Eukaryotes 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A-1-E Serotonin 2a (5-HT2a) receptor (cluster #1 of 3) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1B-1-E Alpha-1b adrenergic receptor (cluster #1 of 4) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D-1-E Alpha-1d adrenergic receptor (cluster #1 of 3) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFB-2-E Monoamine oxidase B (cluster #2 of 8) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1-1-E Dopamine D1 receptor (cluster #1 of 4) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG-1-E Peroxisome proliferator-activated receptor gamma (cluster #1 of 2) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3-1-E Dopamine transporter (cluster #1 of 3) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3-1-E Dopamine D3 receptor (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4-1-E Norepinephrine transporter (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A-1-E Serotonin 1a (5-HT1a) receptor (cluster #1 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B-1-E Serotonin 1b (5-HT1b) receptor (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C-1-E Serotonin 2c (5-HT2c) receptor (cluster #1 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A-1-E Serotonin 3a (5-HT3a) receptor (cluster #1 of 5) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1-3-E Muscarinic acetylcholine receptor M1 (cluster #3 of 5) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A-1-E Alpha-1a adrenergic receptor (cluster #1 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A-3-E Alpha-1a adrenergic receptor (cluster #3 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A-1-E Alpha-2a adrenergic receptor (cluster #1 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B-1-E Alpha-2b adrenergic receptor (cluster #1 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
CAC1C-1-E Voltage-gated L-type calcium channel alpha-1C subunit (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1D-2-E Voltage-gated L-type calcium channel alpha-1D subunit (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2J2-1-E Cytochrome P450 2J2 (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2-4-E Dopamine D2 receptor (cluster #4 of 24) 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
DRD5-1-E Dopamine D5 receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1-1-E Histamine H1 receptor (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1-2-E Histamine H1 receptor (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2-5-E HERG (cluster #5 of 5) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1-1-E Cyclooxygenase-1 (cluster #1 of 6) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1-3-E Cyclooxygenase-1 (cluster #3 of 6) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2-3-E Cyclooxygenase-2 (cluster #3 of 8) 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
SC6A4-3-E Serotonin transporter (cluster #3 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
Z104304-1-O Adrenergic receptor alpha-1 (cluster #1 of 3) 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
5HT1D-1-E Serotonin 1d (5-HT1d) receptor (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1F-2-E Serotonin 1f (5-HT1f) receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B-1-E Serotonin 2b (5-HT2b) receptor (cluster #1 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B-3-E Serotonin 2b (5-HT2b) receptor (cluster #3 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C-3-E Serotonin 2c (5-HT2c) receptor (cluster #3 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3B-1-E Serotonin 3b (5-HT3b) receptor (cluster #1 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3C-1-E Serotonin 3c (5-HT3c) receptor (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3D-1-E Serotonin 3d (5-HT3d) receptor (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3E-1-E Serotonin 3e (5-HT3e) receptor (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT4R-1-E Serotonin 4 (5-HT4) receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT6R-2-E Serotonin 6 (5-HT6) receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AK1A1-1-E Aldehyde reductase (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AK1BA-1-E Aldo-keto reductase family 1 member B10 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALDR-2-E Aldose reductase (cluster #2 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFA-1-E Monoamine oxidase A (cluster #1 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFB-1-E Monoamine oxidase B (cluster #1 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
B5SU02-2-E Alpha carbonic anhydrase (cluster #2 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
C0IX24-1-E Carbonic anhydrase (cluster #1 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1B-1-E Voltage-gated N-type calcium channel alpha-1B subunit (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1G-1-E Voltage-gated T-type calcium channel alpha-1G subunit (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1H-1-E Voltage-gated T-type calcium channel alpha-1H subunit (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1I-1-E Voltage-gated T-type calcium channel alpha-1I subunit (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH-1-A Carbonic anhydrase (cluster #1 of 2) Archaea 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
CAH13-1-E Carbonic anhydrase XIII (cluster #1 of 7) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH15-2-E Carbonic anhydrase 15 (cluster #2 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH15-4-E Carbonic anhydrase 15 (cluster #4 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2-1-E Carbonic anhydrase II (cluster #1 of 15) 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
CAH6-7-E Carbonic anhydrase VI (cluster #7 of 8) 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
CAN-1-F Carbonic anhydrase (cluster #1 of 3) Fungi 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
COMT-1-E Catechol O-methyltransferase (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
COX2-1-E Cytochrome c oxidase subunit 2 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CYNT-1-B Carbonic anhydrase (cluster #1 of 3) Bacteria 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2-17-E Dopamine D2 receptor (cluster #17 of 24) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2-23-E Dopamine D2 receptor (cluster #23 of 24) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4-2-E Dopamine D4 receptor (cluster #2 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR-1-E Dihydrofolate reductase (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FNTA-1-E Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FNTB-1-E Protein farnesyltransferase beta subunit (cluster #1 of 3) 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
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
GBRA5-6-E GABA receptor alpha-5 subunit (cluster #6 of 8) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB3-1-E GABA receptor beta-3 subunit (cluster #1 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2-1-E GABA receptor gamma-2 subunit (cluster #1 of 7) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HMDH-2-E HMG-CoA reductase (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2-4-E HERG (cluster #4 of 5) 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
PGTB1-1-E Geranylgeranyl transferase type I beta subunit (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPBT-1-E Alkaline phosphatase tissue-nonspecific (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q5AJ71-1-F Carbonic anhydrase (cluster #1 of 4) Fungi 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A2-1-E Norepinephrine transporter (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4-1-E Serotonin transporter (cluster #1 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1-1-E Sigma opioid receptor (cluster #1 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SSR5-1-E Somatostatin receptor 5 (cluster #1 of 1) Eukaryotes 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
Z104301-1-O GABA-A receptor; anion channel (cluster #1 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase