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Target
Integrase
Ligand
BDBM50056928
Substrate
n/a
Meas. Tech.
ChEMBL_90897 (CHEMBL699510)
IC50
28100±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 
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:
BDBM50056928
Synonyms:
3,8-Dihydroxy-1-pentanoyl-6-pentyl-dibenzo[b,e][1,4]dioxepin-11-one | CHEMBL368810 | NSC-31867
Type:
Small organic molecule
Emp. Form.:
C23H26O6
Mol. Mass.:
398.4489
SMILES:
CCCCCc1cc(O)cc2OC(=O)c3c(Oc12)cc(O)cc3C(=O)CCCC
Structure:
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