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Ligand

NameCHEMBL2087414
Molecular formulaC23H27N5O4S
IUPAC name2-[2-[(2-cyanophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
Molecular weight469.56
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP0.6
SynonymsBDBM50420599
SCHEMBL4033440
Inchi KeyKKZMKHPCPHNTJO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N5O4S/c1-27(16-18-7-9-19(10-8-18)23-25-11-12-26-23)22(29)17-32-14-13-28(2)33(30,31)21-6-4-3-5-20(21)15-24/h3-10H,11-14,16-17H2,1-2H3,(H,25,26)
PubChem CID12085225
ChEMBLCHEMBL2087414
IUPHARN/A
BindingDB50420599
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
171708B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
171709B1 bradykinin receptorQ61125Bdkrb1Mus musculus (Mouse)334

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