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Ligand

NameCHEMBL552543
Molecular formulaC35H36N4O4
IUPAC name(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]prop-2-enamide
Molecular weight576.697
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.0
SynonymsSCHEMBL8366303
CHEMBL1194363
BDBM50067305
(E)-3-[4-(2-Oxopyrrolizino)phenyl]-N-[2-[methyl[2,4-dimethyl-3-[(2-methylquinoline-8-yl)oxymethyl]phenyl]amino]-2-oxoethyl]acrylamide
(E)-N-({[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-3-[4-(2-oxo-pyrrolidin-1-yl)-phenyl]-acrylamide; hydrochloride
Inchi KeyFIEQAXDVHHHMAH-XMHGGMMESA-N
Inchi IDInChI=1S/C35H36N4O4/c1-23-10-18-30(25(3)29(23)22-43-31-8-5-7-27-15-11-24(2)37-35(27)31)38(4)34(42)21-36-32(40)19-14-26-12-16-28(17-13-26)39-20-6-9-33(39)41/h5,7-8,10-19H,6,9,20-22H2,1-4H3,(H,36,40)/b19-14+
PubChem CID10674687
ChEMBLN/A
IUPHARN/A
BindingDB50067305
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
78962B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
78963B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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