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Ligand

NameCHEMBL272491
Molecular formulaC21H23F2NO4
IUPAC namemethyl 2-fluoro-6-[3-fluoro-4-[[[(2S)-2-hydroxy-3,3-dimethylbutanoyl]amino]methyl]phenyl]benzoate
Molecular weight391.415
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50371324
Inchi KeyAWARRHATTAOZIW-GOSISDBHSA-N
Inchi IDInChI=1S/C21H23F2NO4/c1-21(2,3)18(25)19(26)24-11-13-9-8-12(10-16(13)23)14-6-5-7-15(22)17(14)20(27)28-4/h5-10,18,25H,11H2,1-4H3,(H,24,26)/t18-/m1/s1
PubChem CID44455145
ChEMBLCHEMBL272491
IUPHARN/A
BindingDB50371324
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
15850B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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