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Ligand

NameCHEMBL256793
Molecular formulaC21H23F2NO4
IUPAC namemethyl 2-[4-[[(2-ethyl-2-hydroxybutanoyl)amino]methyl]-3-fluorophenyl]-6-fluorobenzoate
Molecular weight391.415
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50371329
Inchi KeyBRSJKNBMTBOEAF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23F2NO4/c1-4-21(27,5-2)20(26)24-12-14-10-9-13(11-17(14)23)15-7-6-8-16(22)18(15)19(25)28-3/h6-11,27H,4-5,12H2,1-3H3,(H,24,26)
PubChem CID44455227
ChEMBLCHEMBL256793
IUPHARN/A
BindingDB50371329
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
31306B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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