Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50184639
Substrate
n/a
Meas. Tech.
ChEMBL_355503 (CHEMBL871193)
IC50
>125000±n/a nM
Citation
 Walker, MA; Johnson, T; Ma, Z; Banville, J; Remillard, R; Kim, O; Zhang, Y; Staab, A; Wong, H; Torri, A; Samanta, H; Lin, Z; Deminie, C; Terry, B; Krystal, M; Meanwell, N Triketoacid inhibitors of HIV-integrase: a new chemotype useful for probing the integrase pharmacophore. Bioorg Med Chem Lett 16:2920-4 (2006) [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:
BDBM50184639
Synonyms:
1-(1-(4-fluorobenzyl)-1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)propane-1,3-dione | CHEMBL210094
Type:
Small organic molecule
Emp. Form.:
C15H12FN5O2
Mol. Mass.:
313.2865
SMILES:
Fc1ccc(Cn2cccc2C(=O)CC(=O)c2nnn[nH]2)cc1
Structure:
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