Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50051645
Substrate
n/a
Meas. Tech.
ChEMBL_90721 (CHEMBL701114)
IC50
20000±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 type 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50051645
Synonyms:
2-[3-bromo-4-hydroxy-5-methoxyphenyl(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)methyl]-3-hydroxy-1,4-dihydro-1,4-naphthalenedione | CHEMBL79938 | NSC-125292
Type:
Small organic molecule
Emp. Form.:
C28H17BrO8
Mol. Mass.:
561.334
SMILES:
COc1cc(cc(Br)c1O)C(=C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O |w:11.12|
Structure:
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