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Ligand

NameCHEMBL1939920
Molecular formulaC23H25N3O5S
IUPAC nameN-[(1R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
Molecular weight455.529
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.0
SynonymsBDBM50362347
Inchi KeyAQQBPLGXTZEGKW-OSBQEZSISA-N
Inchi IDInChI=1S/C23H25N3O5S/c1-15-6-8-16(9-7-15)32(30,31)26-13-12-24-23(29)20(26)14-22(28)25-19-10-11-21(27)18-5-3-2-4-17(18)19/h2-9,12-13,19-21,27H,10-11,14H2,1H3,(H,24,29)(H,25,28)/t19-,20-,21?/m1/s1
PubChem CID57401663
ChEMBLCHEMBL1939920
IUPHARN/A
BindingDB50362347
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
12010B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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