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Ligand

NameCHEMBL207000
Molecular formulaC28H26F2N4O3
IUPAC namemethyl 2-fluoro-6-[3-fluoro-4-[[[5-(4-prop-2-ynylpiperazine-1-carbonyl)pyridin-2-yl]amino]methyl]phenyl]benzoate
Molecular weight504.538
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50184170
3,3''-difluoro-4''-{[5-(4-prop-2-ynyl-piperazine-1-carbonyl)-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid methyl ester
Inchi KeyBIBKOTINIYREPN-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H26F2N4O3/c1-3-11-33-12-14-34(15-13-33)27(35)21-9-10-25(32-18-21)31-17-20-8-7-19(16-24(20)30)22-5-4-6-23(29)26(22)28(36)37-2/h1,4-10,16,18H,11-15,17H2,2H3,(H,31,32)
PubChem CID44411347
ChEMBLCHEMBL207000
IUPHARN/A
BindingDB50184170
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
24310B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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