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Target
Integrase
Ligand
BDBM50088360
Substrate
n/a
Meas. Tech.
ChEMBL_88615 (CHEMBL701719)
IC50
2100±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:
BDBM50088360
Synonyms:
2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one | 2,3,4,6-tetrahydroxy-5H-benzocycloheptene-5-one | 2,3,4,6-tetrahydroxybenzocyclohepten-5-one | CHEMBL66953 | Hit compound, 2 | Purpurogallin | purpurogalline
Type:
Small organic molecule
Emp. Form.:
C11H8O5
Mol. Mass.:
220.1782
SMILES:
Oc1cc2cccc(O)c(=O)c2c(O)c1O
Structure:
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