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Target
Integrase
Ligand
BDBM50169891
Substrate
n/a
Meas. Tech.
ChEMBL_305236 (CHEMBL832484)
IC50
50000±n/a nM
Citation
 Meadows, DC; Mathews, TB; North, TW; Hadd, MJ; Kuo, CL; Neamati, N; Gervay-Hague, J Synthesis and biological evaluation of geminal disulfones as HIV-1 integrase inhibitors. J Med Chem 48:4526-34 (2005) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50169891
Synonyms:
1-(2,3-Diacetyl-5-{(E)-2-[(E)-2-(3,4,5-triacetyl-phenyl)-ethenesulfonylmethanesulfonyl]-vinyl}-phenyl)-ethanone | CHEMBL191445
Type:
Small organic molecule
Emp. Form.:
C29H28O10S2
Mol. Mass.:
600.657
SMILES:
CC(=O)c1cc(C=CS(=O)(=O)CS(=O)(=O)C=Cc2cc(C(C)=O)c(C(C)=O)c(c2)C(C)=O)cc(C(C)=O)c1C(C)=O |w:16.16,6.5|
Structure:
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