Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50477606
Substrate
n/a
Meas. Tech.
ChEMBL_456071 (CHEMBL888080)
IC50
600±n/a nM
Citation
 Deng, J; Sanchez, T; Al-Mawsawi, LQ; Dayam, R; Yunes, RA; Garofalo, A; Bolger, MB; Neamati, N Discovery of structurally diverse HIV-1 integrase inhibitors based on a chalcone pharmacophore. Bioorg Med Chem 15:4985-5002 (2007) [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:
BDBM50477606
Synonyms:
CHEMBL240506
Type:
Small organic molecule
Emp. Form.:
C22H17BrN8O3
Mol. Mass.:
521.326
SMILES:
Oc1c(\C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc(Br)cc1[N+]([O-])=O
Structure:
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