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Ligand

NameKUC105575N
Molecular formulaC21H18N4S
IUPAC name2-(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)pyridine
Molecular weight358.463
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
SynonymsKSC-12-171-A3
CHEMBL590844
SCHEMBL3910198
BDBM75413
ABVXSGQSIQXNHD-UHFFFAOYSA-N
[ Show all ]
Inchi KeyABVXSGQSIQXNHD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18N4S/c1-3-9-17(10-4-1)15-25-20(19-13-7-8-14-22-19)23-24-21(25)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2
PubChem CID11462495
ChEMBLCHEMBL590844
IUPHARN/A
BindingDB75413
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
1226Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380

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