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Ligand

NameCHEMBL2087036
Molecular formulaC23H26Cl2N4O3S
IUPAC name(E)-4-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylbut-2-enamide
Molecular weight509.446
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50420594
SCHEMBL4033888
Inchi KeyBJHLXUFUYYMYHT-SNAWJCMRSA-N
Inchi IDInChI=1S/C23H26Cl2N4O3S/c1-16-19(24)10-11-20(22(16)25)33(31,32)29(3)14-4-5-21(30)28(2)15-17-6-8-18(9-7-17)23-26-12-13-27-23/h4-11H,12-15H2,1-3H3,(H,26,27)/b5-4+
PubChem CID12085131
ChEMBLCHEMBL2087036
IUPHARN/A
BindingDB50420594
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
25112B1 bradykinin receptorQ61125Bdkrb1Mus musculus (Mouse)334
25113B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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