UCSF

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Ring Information

Rings Ring Systems Atoms Carbons Nitrogens Oxygens Sulfurs
2 1 9 8 1 0 0

Subset Information

Substances Natural Purchasable Annotated BB In Man Last Updated
View 424 40,340 728 6,830 9 2012-03-06

Most Common Targets

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
Z50607 Z50607 CHEMBL378 Human Immunodeficiency Virus 1 86 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC1_HUMAN Q13547 CHEMBL325 Histone Deacetylase 1, Human 42 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG_HUMAN P37231 CHEMBL235 Peroxisome Proliferator-activated Receptor Gamma, Human 40 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALDR_HUMAN P15121 CHEMBL1900 Aldose Reductase, Human 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC1_HUMAN Q13547 CHEMBL325 Histone Deacetylase 1, Human 37 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALDR_HUMAN P15121 CHEMBL1900 Aldose Reductase, Human 35 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR1_RAT P20272 CHEMBL3571 Cannabinoid CB1 Receptor, Rat 33 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_HUMAN P14416 CHEMBL217 Dopamine D2 Receptor, Human 32 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_HUMAN P14416 CHEMBL217 Dopamine D2 Receptor, Human 32 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_RAT P31652 CHEMBL313 Serotonin Transporter, Rat 32 Annotations Catalogs SMILES SDF Mol2 Flexibase
ITK_HUMAN Q08881 CHEMBL2959 Tyrosine-protein Kinase ITK/TSK, Human 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_RAT P31652 CHEMBL313 Serotonin Transporter, Rat 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
ITK_HUMAN Q08881 CHEMBL2959 Tyrosine-protein Kinase ITK/TSK, Human 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B_HUMAN P28222 CHEMBL1898 Serotonin 1b (5-HT1b) Receptor, Human 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D_HUMAN P28221 CHEMBL1983 Serotonin 1d (5-HT1d) Receptor, Human 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D_HUMAN P28221 CHEMBL1983 Serotonin 1d (5-HT1d) Receptor, Human 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR1_RAT P20272 CHEMBL3571 Cannabinoid CB1 Receptor, Rat 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B_HUMAN P28222 CHEMBL1898 Serotonin 1b (5-HT1b) Receptor, Human 28 Annotations Catalogs SMILES SDF Mol2 Flexibase
ICMT_HUMAN O60725 CHEMBL4699 Isoprenylcysteine Carboxyl Methyltransferase, Human 27 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR2_HUMAN P35968 CHEMBL279 Vascular Endothelial Growth Factor Receptor 2, Human 27 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_BOVIN P23795 CHEMBL4768 Acetylcholinesterase, Bovin 26 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_BOVIN P23795 CHEMBL4768 Acetylcholinesterase, Bovin 26 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPR44_HUMAN Q9Y5Y4 CHEMBL5071 G Protein-coupled Receptor 44, Human 25 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG_HUMAN P37231 CHEMBL235 Peroxisome Proliferator-activated Receptor Gamma, Human 25 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR2_HUMAN P35968 CHEMBL279 Vascular Endothelial Growth Factor Receptor 2, Human 25 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_HUMAN P35462 CHEMBL234 Dopamine D3 Receptor, Human 23 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_HUMAN P35462 CHEMBL234 Dopamine D3 Receptor, Human 23 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPR44_HUMAN Q9Y5Y4 CHEMBL5071 G Protein-coupled Receptor 44, Human 23 Annotations Catalogs SMILES SDF Mol2 Flexibase
IMDH2_HUMAN P12268 CHEMBL2002 Inosine-5'-monophosphate Dehydrogenase 2, Human 22 Annotations Catalogs SMILES SDF Mol2 Flexibase
PTAFR_HUMAN P25105 CHEMBL250 Platelet Activating Factor Receptor, Human 22 Annotations Catalogs SMILES SDF Mol2 Flexibase
CHLE_HUMAN P06276 CHEMBL1914 Butyrylcholinesterase, Human 21 Annotations Catalogs SMILES SDF Mol2 Flexibase
CHLE_HUMAN P06276 CHEMBL1914 Butyrylcholinesterase, Human 21 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_HUMAN P35462 CHEMBL234 Dopamine D3 Receptor, Human 21 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247 Z81247 CHEMBL399 HeLa (Cervical Adenocarcinoma Cells) 21 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_HUMAN P22303 CHEMBL220 Acetylcholinesterase, Human 20 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_HUMAN P22303 CHEMBL220 Acetylcholinesterase, Human 20 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARD_HUMAN Q03181 CHEMBL3979 Peroxisome Proliferator-activated Receptor Delta, Human 19 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_HUMAN P31645 CHEMBL228 Serotonin Transporter, Human 19 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_HUMAN P31645 CHEMBL228 Serotonin Transporter, Human 19 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC2_HUMAN Q92769 CHEMBL1937 Histone Deacetylase 2, Human 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC3_HUMAN O15379 CHEMBL1829 Histone Deacetylase 3, Human 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC4_HUMAN P56524 CHEMBL3524 Histone Deacetylase 4, Human 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC5_HUMAN Q9UQL6 CHEMBL2563 Histone Deacetylase 5, Human 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC6_HUMAN Q9UBN7 CHEMBL1865 Histone Deacetylase 6, Human 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC7_HUMAN Q8WUI4 CHEMBL2716 Histone Deacetylase 7, Human 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC8_HUMAN Q9BY41 CHEMBL3192 Histone Deacetylase 8, Human 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARA_HUMAN Q07869 CHEMBL239 Peroxisome Proliferator-activated Receptor Alpha, Human 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDA10_HUMAN Q969S8 CHEMBL5103 Histone Deacetylase 10, Human 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDA11_HUMAN Q96DB2 CHEMBL3310 Histone Deacetylase 11, Human 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC9_HUMAN Q9UKV0 CHEMBL4145 Histone Deacetylase 9, Human 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D_HUMAN P28221 CHEMBL1983 Serotonin 1d (5-HT1d) Receptor, Human 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC2_HUMAN Q92769 CHEMBL1937 Histone Deacetylase 2, Human 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC3_HUMAN O15379 CHEMBL1829 Histone Deacetylase 3, Human 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC4_HUMAN P56524 CHEMBL3524 Histone Deacetylase 4, Human 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC6_HUMAN Q9UBN7 CHEMBL1865 Histone Deacetylase 6, Human 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC8_HUMAN Q9BY41 CHEMBL3192 Histone Deacetylase 8, Human 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
AK1A1_HUMAN P14550 CHEMBL2246 Aldehyde Reductase, Human 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_HUMAN P21917 CHEMBL219 Dopamine D4 Receptor, Human 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
GCR_HUMAN P04150 CHEMBL2034 Glucocorticoid Receptor, Human 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDA10_HUMAN Q969S8 CHEMBL5103 Histone Deacetylase 10, Human 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDA11_HUMAN Q96DB2 CHEMBL3310 Histone Deacetylase 11, Human 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC5_HUMAN Q9UQL6 CHEMBL2563 Histone Deacetylase 5, Human 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC7_HUMAN Q8WUI4 CHEMBL2716 Histone Deacetylase 7, Human 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC9_HUMAN Q9UKV0 CHEMBL4145 Histone Deacetylase 9, Human 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
OXYR_HUMAN P30559 CHEMBL2049 Oxytocin Receptor, Human 14 Annotations Catalogs SMILES SDF Mol2 Flexibase
GCR_HUMAN P04150 CHEMBL2034 Glucocorticoid Receptor, Human 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224 Z80224 CHEMBL387 MCF7 (Breast Carcinoma Cells) 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR2_MOUSE P47936 CHEMBL5373 Cannabinoid CB2 Receptor, Mouse 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
IMDH2_HUMAN P12268 CHEMBL2002 Inosine-5'-monophosphate Dehydrogenase 2, Human 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG_HUMAN P37231 CHEMBL235 Peroxisome Proliferator-activated Receptor Gamma, Human 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q7ZJM1_9HIV1 Q7ZJM1 CHEMBL3471 Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166 Z80166 CHEMBL384 HT-29 (Colon Adenocarcinoma Cells) 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
ICMT_HUMAN O60725 CHEMBL4699 Isoprenylcysteine Carboxyl Methyltransferase, Human 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
PA24A_HUMAN P47712 CHEMBL3816 Cytosolic Phospholipase A2, Human 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARA_HUMAN Q07869 CHEMBL239 Peroxisome Proliferator-activated Receptor Alpha, Human 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9N1N9_HORSE Q9N1N9 CHEMBL5077 Butyrylcholinesterase, Horse 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9N1N9_HORSE Q9N1N9 CHEMBL5077 Butyrylcholinesterase, Horse 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR2_MOUSE P47936 CHEMBL5373 Cannabinoid CB2 Receptor, Mouse 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRGR_HUMAN P06401 CHEMBL208 Progesterone Receptor, Human 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q7ZJM1_9HIV1 Q7ZJM1 CHEMBL3471 Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80493 Z80493 CHEMBL614925 SK-OV-3 (Ovarian Carcinoma Cells) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
DEF_ECOLI P0A6K3 CHEMBL4976 Peptide Deformylase, Ecoli 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
MCR_HUMAN P08235 CHEMBL1994 Mineralocorticoid Receptor, Human 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRM_RAT P33535 CHEMBL270 Mu Opioid Receptor, Rat 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRM_RAT P33535 CHEMBL270 Mu Opioid Receptor, Rat 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARD_HUMAN Q03181 CHEMBL3979 Peroxisome Proliferator-activated Receptor Delta, Human 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRGR_HUMAN P06401 CHEMBL208 Progesterone Receptor, Human 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBA4A_HUMAN P68366 CHEMBL2070 Tubulin Alpha-1 Chain, Human 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB1_HUMAN Q9H4B7 CHEMBL1915 Tubulin Beta-1 Chain, Human 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80169 Z80169 CHEMBL614039 Huh-7 (Hepatocellular Carcinoma) 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252 Z81252 CHEMBL400 MDA-MB-231 (Breast Adenocarcinoma Cells) 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
V1AR_HUMAN P37288 CHEMBL1889 Vasopressin V1a Receptor, Human 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80462 Z80462 CHEMBL612541 SCLC (Small Cell Lung Carcinoma Cells) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A_HUMAN P08908 CHEMBL214 Serotonin 1a (5-HT1a) Receptor, Human 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A_HUMAN P08908 CHEMBL214 Serotonin 1a (5-HT1a) Receptor, Human 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_HUMAN P21728 CHEMBL2056 Dopamine D1 Receptor, Human 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_HUMAN P21917 CHEMBL219 Dopamine D4 Receptor, Human 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
PA24A_HUMAN P47712 CHEMBL3816 Cytosolic Phospholipase A2, Human 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_RAT Q63921 CHEMBL4042 Cyclooxygenase-1, Rat 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRGR_HUMAN P06401 CHEMBL208 Progesterone Receptor, Human 7 Annotations Catalogs SMILES SDF Mol2 Flexibase