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Ligand

NameCHEMBL1939949
Molecular formulaC23H31ClN4O4S
IUPAC name(3R)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-[2-oxo-2-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]ethyl]-1,3-dihydropyrazin-2-one
Molecular weight495.035
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.1
SynonymsBDBM50362318
SCHEMBL4177061
Inchi KeyBSSSCWIWQDSZJL-AZUAARDMSA-N
Inchi IDInChI=1S/C23H31ClN4O4S/c1-16-13-21(17(2)12-19(16)24)33(31,32)28-11-7-25-23(30)20(28)14-22(29)27-10-5-6-18(15-27)26-8-3-4-9-26/h7,11-13,18,20H,3-6,8-10,14-15H2,1-2H3,(H,25,30)/t18-,20+/m0/s1
PubChem CID57394687
ChEMBLCHEMBL1939949
IUPHARN/A
BindingDB50362318
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
31967B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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