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Ligand

NameCHEMBL344021
Molecular formulaC33H34N4O6
IUPAC name4-[(E)-3-[[2-[2,4-dimethoxy-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
Molecular weight582.657
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.1
Synonyms4-{(E)-2-[({[2,4-Dimethoxy-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
BDBM50067924
SCHEMBL8364458
Inchi KeyGQOBRKVINZPHJP-LDADJPATSA-N
Inchi IDInChI=1S/C33H34N4O6/c1-21-9-13-23-7-6-8-28(31(23)36-21)43-20-25-27(41-4)17-16-26(32(25)42-5)37(3)30(39)19-35-29(38)18-12-22-10-14-24(15-11-22)33(40)34-2/h6-18H,19-20H2,1-5H3,(H,34,40)(H,35,38)/b18-12+
PubChem CID10579159
ChEMBLCHEMBL344021
IUPHARN/A
BindingDB50067924
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
102804B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372
102805B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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