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Target
Integrase
Ligand
BDBM50480450
Substrate
n/a
Meas. Tech.
ChEMBL_574490 (CHEMBL1030329)
IC50
40000±n/a nM
Citation
 Marchand, C; Beutler, JA; Wamiru, A; Budihas, S; Möllmann, U; Heinisch, L; Mellors, JW; Le Grice, SF; Pommier, Y Madurahydroxylactone derivatives as dual inhibitors of human immunodeficiency virus type 1 integrase and RNase H. Antimicrob Agents Chemother 52:361-4 (2008) [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:
BDBM50480450
Synonyms:
CHEMBL538879
Type:
Small organic molecule
Emp. Form.:
C33H26N2O9
Mol. Mass.:
594.5675
SMILES:
COc1c2CCc3cc(C4NCc5ccccc5N4)c(C(O)=O)c(O)c3-c2c(O)c2C(=O)c3cc(O)c(C)c(O)c3C(=O)c12
Structure:
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