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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL309253
Molecular formulaC15H11Cl2N3S
IUPAC name5-(2-chlorophenyl)-2-[(3-chlorophenyl)methyl]-1H-1,2,4-triazole-3-thione
Molecular weight336.234
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP4.4
Synonyms1-(3-Chlorobenzyl)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thiol
SCHEMBL6981330
BDBM50221044
SCHEMBL13952027
Inchi KeyBVVNOWWRISDJKJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H11Cl2N3S/c16-11-5-3-4-10(8-11)9-20-15(21)18-14(19-20)12-6-1-2-7-13(12)17/h1-8H,9H2,(H,18,19,21)
PubChem CID9927727
ChEMBLCHEMBL309253
IUPHARN/A
BindingDB50221044
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
34109C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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