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Ligand

NameCHEMBL537683
Molecular formulaC40H42N6O5
IUPAC name4-[2-[[[(E)-3-[4-(dimethylcarbamoyl)phenyl]prop-2-enoyl]amino]methyl]pyrrol-1-yl]-1-N,1-N,3-N,3-N-tetramethyl-2-[(2-methylquinolin-8-yl)oxymethyl]benzene-1,3-dicarboxamide
Molecular weight686.813
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
Synonyms4-(2-{[(E)-3-(4-Dimethylcarbamoyl-phenyl)-acryloylamino]-methyl}-pyrrol-1-yl)-N*1*,N*1*,N*3*,N*3*-tetramethyl-2-(2-methyl-quinolin-8-yloxymethyl)-isophthalamide; hydrochloride
BDBM50067929
CHEMBL1188925
Inchi KeyGTHGGSLNYNOZTO-CJLVFECKSA-N
Inchi IDInChI=1S/C40H42N6O5/c1-26-13-17-28-10-8-12-34(37(28)42-26)51-25-32-31(39(49)44(4)5)20-21-33(36(32)40(50)45(6)7)46-23-9-11-30(46)24-41-35(47)22-16-27-14-18-29(19-15-27)38(48)43(2)3/h8-23H,24-25H2,1-7H3,(H,41,47)/b22-16+
PubChem CID44360533
ChEMBLN/A
IUPHARN/A
BindingDB50067929
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
104846B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372
104847B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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