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Ligand

NameCHEMBL204562
Molecular formulaC29H30F2N4O3
IUPAC namemethyl 2-[4-[[[5-(4-cyclobutylpiperazine-1-carbonyl)pyridin-2-yl]amino]methyl]-3-fluorophenyl]-6-fluorobenzoate
Molecular weight520.581
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50184210
4''-{[5-(4-cyclobutyl-piperazine-1-carbonyl)-pyridin-2-ylamino]-methyl}-3,3''-difluoro-biphenyl-2-carboxylic acid methyl ester
Inchi KeyCBOBIYYERKRFTQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H30F2N4O3/c1-38-29(37)27-23(6-3-7-24(27)30)19-8-9-20(25(31)16-19)17-32-26-11-10-21(18-33-26)28(36)35-14-12-34(13-15-35)22-4-2-5-22/h3,6-11,16,18,22H,2,4-5,12-15,17H2,1H3,(H,32,33)
PubChem CID44411353
ChEMBLCHEMBL204562
IUPHARN/A
BindingDB50184210
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
38057B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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