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Target
Integrase
Ligand
BDBM50162331
Substrate
n/a
Meas. Tech.
ChEMBL_306086 (CHEMBL833587)
IC50
>100000±n/a nM
Citation
 Deng, J; Lee, KW; Sanchez, T; Cui, M; Neamati, N; Briggs, JM Dynamic receptor-based pharmacophore model development and its application in designing novel HIV-1 integrase inhibitors. J Med Chem 48:1496-505 (2005) [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:
BDBM50162331
Synonyms:
2-[(4-Bromo-phenylcarbamoyl)-methylsulfanyl]-6-hydroxy-pyridine-3,5-dicarboxylic acid diethyl ester | CHEMBL177001
Type:
Small organic molecule
Emp. Form.:
C19H19BrN2O6S
Mol. Mass.:
483.333
SMILES:
CCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1SCC(=O)Nc1ccc(Br)cc1
Structure:
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