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Ligand

NameCHEMBL387331
Molecular formulaC21H20F2N2O4
IUPAC namemethyl 2-[4-[[(1-acetamidocyclopropanecarbonyl)amino]methyl]-3-fluorophenyl]-6-fluorobenzoate
Molecular weight402.398
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM50202415
methyl 4''-[({[1-(acetylamino)cyclopropyl]carbonyl}amino)-methyl]-3,3''-difluoro-1,1''-biphenyl-2-carboxylate
Inchi KeyAFLACRRVENIZQO-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20F2N2O4/c1-12(26)25-21(8-9-21)20(28)24-11-14-7-6-13(10-17(14)23)15-4-3-5-16(22)18(15)19(27)29-2/h3-7,10H,8-9,11H2,1-2H3,(H,24,28)(H,25,26)
PubChem CID16102908
ChEMBLCHEMBL387331
IUPHARN/A
BindingDB50202415
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4254B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
4253B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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