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Target
Integrase
Ligand
BDBM50482627
Substrate
n/a
Meas. Tech.
ChEMBL_652231 (CHEMBL1228504)
IC50
5000±n/a nM
Citation
 Crosby, IT; Bourke, DG; Jones, ED; de Bruyn, PJ; Rhodes, D; Vandegraaff, N; Cox, S; Coates, JA; Robertson, AD Antiviral agents 2. Synthesis of trimeric naphthoquinone analogues of conocurvone and their antiviral evaluation against HIV. Bioorg Med Chem 18:6442-50 (2010) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50482627
Synonyms:
CHEMBL1223976
Type:
Small organic molecule
Emp. Form.:
C43H32O11
Mol. Mass.:
724.7076
SMILES:
CCCOc1ccc2C(=O)C(C3=C(O)C(=O)c4c(ccc5OC(C)(C)C=Cc45)C3=O)=C(C(=O)c2c1)C1=C(O)C(=O)c2c(ccc3OC(C)(C)C=Cc23)C1=O |c:11,25,32,40,54|
Structure:
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