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Target
Integrase
Ligand
BDBM50088349
Substrate
n/a
Meas. Tech.
ChEMBL_88615 (CHEMBL701719)
IC50
1700±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:
BDBM50088349
Synonyms:
2',3,3',4,4'-pentahydroxychalcone | 3-(3,4-Dihydroxy-phenyl)-1-(2,3,4-trihydroxy-phenyl)-propan-1-one | CHEMBL67076 | NSC-309121
Type:
Small organic molecule
Emp. Form.:
C15H14O6
Mol. Mass.:
290.2681
SMILES:
Oc1ccc(CCC(=O)c2ccc(O)c(O)c2O)cc1O
Structure:
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