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Ligand

NameCHEMBL329758
Molecular formulaC31H32Cl2N6O6
IUPAC name(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[2,4-dichloro-3-[[2-methoxy-1-(2-methoxyethyl)benzimidazol-4-yl]oxymethyl]-N-methylanilino]-2-oxoethyl]prop-2-enamide
Molecular weight655.533
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.5
SynonymsSCHEMBL7975793
SCHEMBL7975797
BDBM50146900
(E)-3-(6-Acetylamino-pyridin-3-yl)-N-[({2,4-dichloro-3-[2-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazol-4-yloxymethyl]-phenyl}-methyl-carbamoyl)-methyl]-acrylamide
Inchi KeyFFBBRBMZBZYBQC-UKTHLTGXSA-N
Inchi IDInChI=1S/C31H32Cl2N6O6/c1-19(40)36-26-12-8-20(16-34-26)9-13-27(41)35-17-28(42)38(2)23-11-10-22(32)21(29(23)33)18-45-25-7-5-6-24-30(25)37-31(44-4)39(24)14-15-43-3/h5-13,16H,14-15,17-18H2,1-4H3,(H,35,41)(H,34,36,40)/b13-9+
PubChem CID11169752
ChEMBLCHEMBL329758
IUPHARN/A
BindingDB50146900
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
76815B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
76816B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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