Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50300129
Substrate
n/a
Meas. Tech.
ChEMBL_2215247 (CHEMBL5128379)
Ki
2900±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:
BDBM50300129
Synonyms:
CHEMBL572528 | CIBACRON BLUE | Cibacron Blue 3Ga
Type:
Small organic molecule
Emp. Form.:
C29H20ClN7O11S3
Mol. Mass.:
774.157
SMILES:
Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O
Structure:
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