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Target
Integrase
Ligand
BDBM50017685
Substrate
n/a
Meas. Tech.
ChEMBL_1364392 (CHEMBL3294261)
IC50
>20000±n/a nM
Citation
 Li, BW; Zhang, FH; Serrao, E; Chen, H; Sanchez, TW; Yang, LM; Neamati, N; Zheng, YT; Wang, H; Long, YQ Design and discovery of flavonoid-based HIV-1 integrase inhibitors targeting both the active site and the interaction with LEDGF/p75. Bioorg Med Chem 22:3146-58 (2014) [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:
BDBM50017685
Synonyms:
CHEMBL3288958
Type:
Small organic molecule
Emp. Form.:
C22H15FO7
Mol. Mass.:
410.3487
SMILES:
Oc1cc(OCc2ccc(F)cc2)c2c(c1)oc(c(O)c2=O)-c1ccc(O)c(O)c1
Structure:
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