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Ligand

NameCHEMBL2087415
Molecular formulaC23H29ClN4O4S
IUPAC name2-[2-[(3-chloro-2-methylphenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
Molecular weight493.019
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.9
SynonymsBDBM50420600
SCHEMBL4033685
Inchi KeyBJXJGKMGPWSYEX-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29ClN4O4S/c1-17-20(24)5-4-6-21(17)33(30,31)28(3)13-14-32-16-22(29)27(2)15-18-7-9-19(10-8-18)23-25-11-12-26-23/h4-10H,11-16H2,1-3H3,(H,25,26)
PubChem CID57342852
ChEMBLCHEMBL2087415
IUPHARN/A
BindingDB50420600
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
25540B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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