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Ligand

NameCHEMBL540840
Molecular formulaC28H27BrCl4N6O4
IUPAC name(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]prop-2-enamide;dihydrochloride
Molecular weight733.266
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogPNone
SynonymsSCHEMBL8562998
SCHEMBL8563000
Inchi KeyBMCGLVCNVUMJNU-FCVAESPPSA-N
Inchi IDInChI=1S/C28H25BrCl2N6O4.2ClH/c1-16-27(29)37-12-4-5-22(28(37)34-16)41-15-19-20(30)8-9-21(26(19)31)36(3)25(40)14-33-24(39)11-7-18-6-10-23(32-13-18)35-17(2)38;;/h4-13H,14-15H2,1-3H3,(H,33,39)(H,32,35,38);2*1H/b11-7+;;
PubChem CID18923431
ChEMBLCHEMBL540840
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
27304B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
27305B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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