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Target
Integrase
Ligand
BDBM50169890
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:
BDBM50169890
Synonyms:
5-[2-[2-(3,4-dihydroxy-5-methoxyphenyl)-(E)-1-ethenylsulfonylmethylsulfonyl]-(E)-1-ethenyl]-3-methoxy-1,2-benzenediol | CHEMBL188746
Type:
Small organic molecule
Emp. Form.:
C19H20O10S2
Mol. Mass.:
472.486
SMILES:
COc1cc(\C=C\S(=O)(=O)CS(=O)(=O)\C=C\c2cc(O)c(O)c(OC)c2)cc(O)c1O
Structure:
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