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Target
Integrase
Ligand
BDBM50544754
Substrate
n/a
Meas. Tech.
ChEMBL_1993697 (CHEMBL4627592)
IC50
3500±n/a nM
Citation
 Manyeruke, MH; Tshiwawa, T; Hoppe, HC; Isaacs, M; Seldon, R; Warner, DF; Krause, RWM; Kaye, PT Synthesis and biological evaluation of bis-N Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM50544754
Synonyms:
CHEMBL4638187
Type:
Small organic molecule
Emp. Form.:
C26H22N4O10
Mol. Mass.:
550.4737
SMILES:
C\C(=N/NC(=O)C(O)C(O)C(=O)N\N=C(/C)c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Structure:
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