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Ligand

NameCHEMBL538784
Molecular formulaC34H35N7O6
IUPAC name1-N,3-N-dimethyl-4-[methyl-[2-[[(E)-3-[6-(methylcarbamoyl)pyridin-3-yl]prop-2-enoyl]amino]acetyl]amino]-2-[(2-methylquinolin-8-yl)oxymethyl]benzene-1,3-dicarboxamide
Molecular weight637.697
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.9
SynonymsCHEMBL1189464
BDBM50067922
N*1*,N*3*-Dimethyl-4-(methyl-{2-[3-(6-methylcarbamoyl-pyridin-3-yl)-acryloylamino]-acetyl}-amino)-2-(2-methyl-quinolin-8-yloxymethyl)-isophthalamide
Inchi KeyGKUUBNIYKXZAGT-LFIBNONCSA-N
Inchi IDInChI=1S/C34H35N7O6/c1-20-9-12-22-7-6-8-27(31(22)40-20)47-19-24-23(32(44)35-2)13-15-26(30(24)34(46)37-4)41(5)29(43)18-39-28(42)16-11-21-10-14-25(38-17-21)33(45)36-3/h6-17H,18-19H2,1-5H3,(H,35,44)(H,36,45)(H,37,46)(H,39,42)/b16-11+
PubChem CID44360879
ChEMBLN/A
IUPHARN/A
BindingDB50067922
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
99032B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
99033B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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