Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50088355
Substrate
n/a
Meas. Tech.
ChEMBL_88615 (CHEMBL701719)
IC50
2300±n/a nM
Citation
 Carlson, HA; Masukawa, KM; Rubins, K; Bushman, FD; Jorgensen, WL; Lins, RD; Briggs, JM; McCammon, JA Developing a dynamic pharmacophore model for HIV-1 integrase. J Med Chem 43:2100-14 (2000) [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:
BDBM50088355
Synonyms:
10-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-1,6,8,11-tetrahydroxy-8-(2-hydroxy-acetyl)-7,8,9,10-tetrahydro-naphthacene-5,12-dione; compound with methane | CHEMBL541123
Type:
Small organic molecule
Emp. Form.:
C26H27NO11
Mol. Mass.:
529.4927
SMILES:
C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)OC1C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(O)c4C(=O)c3c(O)c12)C(=O)CO
Structure:
Search PDB for entries with ligand similarity: