Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50051646
Substrate
n/a
Meas. Tech.
ChEMBL_90733 (CHEMBL701285)
IC50
>100000±n/a nM
Citation
 Mazumder, A; Wang, S; Neamati, N; Nicklaus, M; Sunder, S; Chen, J; Milne, GW; Rice, WG; Burke, TR; Pommier, Y Antiretroviral agents as inhibitors of both human immunodeficiency virus type 1 integrase and protease. J Med Chem 39:2472-81 (1996) [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:
BDBM50051646
Synonyms:
2-[4-chlorophenyl(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)methyl]-3-hydroxy-1,4-dihydro-1,4-naphthalenedione | CHEMBL287689 | NSC-117271
Type:
Small organic molecule
Emp. Form.:
C27H15ClO6
Mol. Mass.:
470.857
SMILES:
Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 |w:13.14|
Structure:
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