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Target
Integrase
Ligand
BDBM96317
Substrate
n/a
Meas. Tech.
ChEMBL_458636 (CHEMBL941965)
IC50
21000±n/a nM
Citation
 Al-Mawsawi, LQ; Dayam, R; Taheri, L; Witvrouw, M; Debyser, Z; Neamati, N Discovery of novel non-cytotoxic salicylhydrazide containing HIV-1 integrase inhibitors. Bioorg Med Chem Lett 17:6472-5 (2007) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM96317
Synonyms:
2-Hydroxy-benzoic acid N'-[2-(4-benzyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazide | 2-hydroxy-N'-[1-oxo-2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]benzohydrazide | 2-oxidanyl-N'-[2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzohydrazide | MLS000553916 | N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide | N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-2-hydroxy-benzohydrazide | SMR000172137 | cid_1136282
Type:
Small organic molecule
Emp. Form.:
C24H21N5O3S
Mol. Mass.:
459.52
SMILES:
Oc1ccccc1C(=O)NNC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: