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Target
Integrase
Ligand
BDBM50056935
Substrate
n/a
Meas. Tech.
ChEMBL_90892 (CHEMBL835002)
IC50
253000±n/a nM
Citation
 Neamati, N; Hong, H; Mazumder, A; Wang, S; Sunder, S; Nicklaus, MC; Milne, GW; Proksa, B; Pommier, Y Depsides and depsidones as inhibitors of HIV-1 integrase: discovery of novel inhibitors through 3D database searching. J Med Chem 40:942-51 (1997) [PubMed]  Article  BDB Entry
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:
BDBM50056935
Synonyms:
3-(3,4-Dihydroxy-phenyl)-2-(4-nitro-benzoylamino)-propionic acid benzyl ester | CHEMBL175052 | NSC-132526
Type:
Small organic molecule
Emp. Form.:
C23H20N2O7
Mol. Mass.:
436.4141
SMILES:
Oc1ccc(CC(NC(=O)c2ccc(cc2)[N+]([O-])=O)C(=O)OCc2ccccc2)cc1O
Structure:
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