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Target
Integrase
Ligand
BDBM53806
Substrate
n/a
Meas. Tech.
ChEMBL_458636 (CHEMBL941965)
IC50
15000±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:
BDBM53806
Synonyms:
2-Hydroxy-benzoic acid N'-{2-[4-benzyl-5-(2-hydroxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetyl}-hydrazide | 2-hydroxy-N'-[1-oxo-2-[[(5Z)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]benzohydrazide | 2-oxidanyl-N'-[2-[[(5Z)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzohydrazide | MLS000555098 | N'-[2-[[(5Z)-4-benzyl-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]acetyl]-2-hydroxy-benzohydrazide | N'-[2-[[(5Z)-4-benzyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-hydroxybenzohydrazide | SMR000172181 | cid_5767357
Type:
Small organic molecule
Emp. Form.:
C24H21N5O4S
Mol. Mass.:
475.52
SMILES:
Oc1ccccc1C(=O)NNC(=O)CSc1nnc(-c2ccccc2O)n1Cc1ccccc1
Structure:
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