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Ligand

NameCHEMBL243432
Molecular formulaC21H17BrN6O3
IUPAC name3-acetamido-4-bromo-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1H-pyrazole-5-carboxamide
Molecular weight481.31
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.3
SynonymsSCHEMBL6045824
BDBM50222661
5-(acetylamino)-4-bromo-N-(2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1H-pyrazole-3-carboxamide
Inchi KeyADFADTWVIXXRIA-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H17BrN6O3/c1-11(29)23-18-15(22)17(27-28-18)20(30)26-19-21(31)24-14-10-6-5-9-13(14)16(25-19)12-7-3-2-4-8-12/h2-10,19H,1H3,(H,24,31)(H,26,30)(H2,23,27,28,29)
PubChem CID23630514
ChEMBLCHEMBL243432
IUPHARN/A
BindingDB50222661
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
2207B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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