Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50009452
Substrate
n/a
Meas. Tech.
ChEMBL_1336402 (CHEMBL3242251)
IC50
420±n/a nM
Citation
 Ferro, S; De Luca, L; Lo Surdo, G; Morreale, F; Christ, F; Debyser, Z; Gitto, R; Chimirri, A A new potential approach to block HIV-1 replication via protein-protein interaction and strand-transfer inhibition. Bioorg Med Chem 22:2269-79 (2014) [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:
BDBM50009452
Synonyms:
CHEMBL3233908
Type:
Small organic molecule
Emp. Form.:
C23H23NO5
Mol. Mass.:
393.4324
SMILES:
COc1ccc2n(Cc3c(C)cc(C)cc3C)cc(C(=O)\C=C(/O)C(O)=O)c2c1
Structure:
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