Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50595031
Substrate
n/a
Meas. Tech.
ChEMBL_2215247 (CHEMBL5128379)
Ki
280±n/a nM
Citation
 Simone, MI; Wood, A; Campkin, D; Kiefel, MJ; Houston, TA Recent results from non-basic glycosidase inhibitors: How structural diversity can inform general strategies for improving inhibition potency. Eur J Med Chem 235:0 (2022) [PubMed] 
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:
BDBM50595031
Synonyms:
CHEMBL5199902
Type:
Small organic molecule
Emp. Form.:
C15H12ClN5O6S2
Mol. Mass.:
457.869
SMILES:
OS(=O)(=O)c1ccccc1Nc1nc(Cl)nc(Nc2ccccc2S(O)(=O)=O)n1
Structure:
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