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Ligand

Name4506-71-2
Molecular formulaC11H15NO2S
IUPAC nameethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Molecular weight225.306
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.3
SynonymsEthyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Ethyl 2-amino-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylate
2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
NSC99005
[ Show all ]
Inchi KeyCDYVTVLXEWMCHU-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H15NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3
PubChem CID78262
ChEMBLCHEMBL338479
IUPHARN/A
BindingDB50202527
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 5
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GLASS IDNameUniProtGeneSpeciesLength
39693Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
537011Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
537010Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
39694Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212
39695Metabotropic glutamate receptor 6O15303GRM6Homo sapiens (Human)877

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