Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50162338
Substrate
n/a
Meas. Tech.
ChEMBL_306086 (CHEMBL833587)
IC50
140000±n/a nM
Citation
 Deng, J; Lee, KW; Sanchez, T; Cui, M; Neamati, N; Briggs, JM Dynamic receptor-based pharmacophore model development and its application in designing novel HIV-1 integrase inhibitors. J Med Chem 48:1496-505 (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:
BDBM50162338
Synonyms:
5-[4-(3-Morpholin-4-yl-propylamino)-3-nitro-benzenesulfonylamino]-isophthalic acid | CHEMBL176127
Type:
Small organic molecule
Emp. Form.:
C21H24N4O9S
Mol. Mass.:
508.502
SMILES:
OC(=O)c1cc(NS(=O)(=O)c2ccc(NCCCN3CCOCC3)c(c2)[N+]([O-])=O)cc(c1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: