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Target
Integrase
Ligand
BDBM50477995
Substrate
n/a
Meas. Tech.
ChEMBL_463501 (CHEMBL932796)
IC50
5.0±n/a nM
Citation
 Dayam, R; Al-Mawsawi, LQ; Zawahir, Z; Witvrouw, M; Debyser, Z; Neamati, N Quinolone 3-carboxylic acid pharmacophore: design of second generation HIV-1 integrase inhibitors. J Med Chem 51:1136-44 (2008) [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:
BDBM50477995
Synonyms:
CHEMBL407352
Type:
Small organic molecule
Emp. Form.:
C13H9N3O4S
Mol. Mass.:
303.293
SMILES:
OC(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Structure:
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