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Target
Integrase
Ligand
BDBM50477771
Substrate
n/a
Meas. Tech.
ChEMBL_458637 (CHEMBL941966)
IC50
6000±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:
BDBM50477771
Synonyms:
CHEMBL250367
Type:
Small organic molecule
Emp. Form.:
C24H21N5O5S
Mol. Mass.:
491.519
SMILES:
COc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccccc2O)nnc1-c1ccccc1O |(18.04,.11,;16.9,1.14,;15.43,.66,;15.12,-.85,;13.65,-1.33,;12.5,-.29,;12.83,1.21,;14.29,1.68,;14.62,3.18,;16.02,3.8,;17.35,3.03,;18.68,3.8,;20.02,3.03,;20.02,1.49,;21.35,3.8,;22.69,3.03,;24.02,3.8,;24.02,5.34,;25.35,3.03,;25.35,1.49,;26.69,.72,;28.02,1.49,;28.02,3.04,;26.68,3.8,;26.68,5.34,;15.86,5.34,;14.35,5.66,;13.59,4.32,;12.07,4.16,;11.16,5.41,;9.63,5.25,;9.01,3.84,;9.92,2.59,;11.45,2.76,;12.36,1.52,)|
Structure:
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