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Ligand

NameCHEMBL127828
Molecular formulaC23H22FN3OS
IUPAC nameN-[2-[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-3-carboxamide
Molecular weight407.507
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50131968
Thiophene-3-carboxylic acid {2-[5-(2-fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl]-ethyl}-amide
Inchi KeyAVUSYTRJVKZPGP-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)
PubChem CID44349947
ChEMBLCHEMBL127828
IUPHARN/A
BindingDB50131968
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15666Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
15667Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
15670Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
15668Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
15669Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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