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Target
Integrase
Ligand
BDBM50162339
Substrate
n/a
Meas. Tech.
ChEMBL_306110 (CHEMBL830061)
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:
BDBM50162339
Synonyms:
5-{3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzenesulfonylamino}-isophthalic acid dimethyl ester | CHEMBL193930
Type:
Small organic molecule
Emp. Form.:
C22H22N4O6S
Mol. Mass.:
470.498
SMILES:
COC(=O)c1cc(NS(=O)(=O)c2ccc(NCc3cccnc3)c(N)c2)cc(c1)C(=O)OC
Structure:
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