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Target
Integrase
Ligand
BDBM50017670
Substrate
n/a
Meas. Tech.
ChEMBL_1364397 (CHEMBL3294266)
IC50
1700±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:
BDBM50017670
Synonyms:
CHEMBL3288948
Type:
Small organic molecule
Emp. Form.:
C19H17NO5
Mol. Mass.:
339.342
SMILES:
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(cc2o1)N1CCOCC1
Structure:
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