Reaction Details  Report a problem with these data
Target
Integrase
Ligand
BDBM50483521
Substrate
n/a
Meas. Tech.
ChEMBL_727385 (CHEMBL1685113)
IC50
15849±n/a nM
Citation
 Sharma, H; Patil, S; Sanchez, TW; Neamati, N; Schinazi, RF; Buolamwini, JK Synthesis, biological evaluation and 3D-QSAR studies of 3-keto salicylic acid chalcones and related amides as novel HIV-1 integrase inhibitors. Bioorg Med Chem 19:2030-45 (2011) [PubMed]  Article
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50483521
Synonyms:
CHEMBL1682056
Type:
Small organic molecule
Emp. Form.:
C20H13BrO5
Mol. Mass.:
413.218
SMILES:
OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccccc2-c2ccco2)c1O
Structure:
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