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Target
Integrase
Ligand
BDBM50477604
Substrate
n/a
Meas. Tech.
ChEMBL_456072 (CHEMBL888081)
IC50
7000±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:
BDBM50477604
Synonyms:
CHEMBL241397
Type:
Small organic molecule
Emp. Form.:
C22H13ClFN7O4
Mol. Mass.:
493.835
SMILES:
OC(=O)c1cc(ccc1Cl)-c1ccc(\C=N\Nc2nc3nonc3nc2Nc2ccccc2F)o1
Structure:
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