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Target
Gag-Pol polyprotein [1148-1435]
Ligand
BDBM107689
Substrate
n/a
Meas. Tech.
HIV-1 Integrase Assay
IC50
1e+1±n/a nM
Citation
 Bhatt, H; Patel, P; Pannecouque, C Discovery of HIV-1 integrase inhibitors: pharmacophore mapping, virtual screening, molecular docking, synthesis, and biological evaluation. Chem Biol Drug Des 83:154-66 (2014) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [1148-1435]
Synonyms:
HIV-1 Integrase | POL_HV1H2 | gag-pol
Type:
Enzyme
Mol. Mass.:
32171.42
Organism:
Human immunodeficiency virus type 1
Description:
The sequence encoding the 288-amino-acid wild-type full-length integrase was cloned with an N-terminal 6His tag, and expressed in E. coli.
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTGATVRAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRNPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM107689
Synonyms:
N-[(3,4-dichlorophenyl)methyl]-5,6-dihydroxy-2- (thiophen-2-yl)pyrimidine-4-carboxamide (Compound 14)
Type:
Small organic molecule
Emp. Form.:
C16H11Cl2N3O3S
Mol. Mass.:
396.248
SMILES:
Oc1c(nc([nH]c1=O)-c1cccs1)C(=O)NCc1ccc(Cl)c(Cl)c1
Structure:
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