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Ligand

NameCHEMBL553614
Molecular formulaC32H29Cl2N5O4
IUPAC name(E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-[6-(2-oxopyrrolidin-1-yl)pyridin-3-yl]prop-2-enamide
Molecular weight618.515
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsSCHEMBL8366088
SCHEMBL8366089
CHEMBL1194974
BDBM50067317
(E)-3-[6-(2-Oxopyrrolizino)-3-pyridinyl]-N-[2-[methyl[2,4-dichloro-3-[(2-methylquinoline-8-yl)oxymethyl]phenyl]amino]-2-oxoethyl]acrylamide
[ Show all ]
Inchi KeyGCCGPMFOGYPQCC-XNTDXEJSSA-N
Inchi IDInChI=1S/C32H29Cl2N5O4/c1-20-8-11-22-5-3-6-26(32(22)37-20)43-19-23-24(33)12-13-25(31(23)34)38(2)30(42)18-36-28(40)15-10-21-9-14-27(35-17-21)39-16-4-7-29(39)41/h3,5-6,8-15,17H,4,7,16,18-19H2,1-2H3,(H,36,40)/b15-10+
PubChem CID11801968
ChEMBLN/A
IUPHARN/A
BindingDB50067317
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
92824B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372
92825B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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