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Ligand

NameMLS000118627
Molecular formulaC23H20N6O3S2
IUPAC nameN-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Molecular weight492.572
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.8
SynonymsSMR000095568
847402-90-8
N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
N-(5-methylisoxazol-3-yl)-2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
AC1NSHQ1
[ Show all ]
Inchi KeyAIJXENIASDJLKH-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20N6O3S2/c1-14-7-3-4-8-16(14)29-20(12-28-17-9-5-6-10-18(17)34-23(28)31)25-26-22(29)33-13-21(30)24-19-11-15(2)32-27-19/h3-11H,12-13H2,1-2H3,(H,24,27,30)
PubChem CID5309804
ChEMBLCHEMBL1498055
IUPHARN/A
BindingDB37799
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6295fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
6296N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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