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Ligand

NameCHEMBL544623
Molecular formulaC51H41N7O2
IUPAC name(E)-N-[[1-[3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis[(E)-2-pyridin-4-ylethenyl]phenyl]pyrrol-2-yl]methyl]-3-[6-[(E)-2-pyridin-4-ylethenyl]pyridin-3-yl]prop-2-enamide
Molecular weight783.936
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP8.3
SynonymsBDBM50067928
CHEMBL1193250
N-{1-[3-(2-Methyl-quinolin-8-yloxymethyl)-2,4-bis-(2-pyridin-4-yl-vinyl)-phenyl]-1H-pyrrol-2-ylmethyl}-3-[6-(2-pyridin-4-yl-vinyl)-pyridin-3-yl]-acrylamide
Inchi KeyGILVQLPJVQETDU-JZMRWLDYSA-N
Inchi IDInChI=1S/C51H41N7O2/c1-37-7-13-43-4-2-6-49(51(43)57-37)60-36-47-42(14-8-38-21-27-52-28-22-38)15-19-48(46(47)18-11-40-25-31-54-32-26-40)58-33-3-5-45(58)35-56-50(59)20-12-41-10-17-44(55-34-41)16-9-39-23-29-53-30-24-39/h2-34H,35-36H2,1H3,(H,56,59)/b14-8+,16-9+,18-11+,20-12+
PubChem CID44360818
ChEMBLN/A
IUPHARN/A
BindingDB50067928
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
97336B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372
97337B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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