Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50051634
Substrate
n/a
Meas. Tech.
ChEMBL_90721 (CHEMBL701114)
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:
BDBM50051634
Synonyms:
2-Heptylamino-3-hydroxy-[1,4]naphthoquinone | CHEMBL82611 | NSC-129153
Type:
Small organic molecule
Emp. Form.:
C17H21NO3
Mol. Mass.:
287.3535
SMILES:
CCCCCCC=Nc1c(O)c(O)c2ccccc2c1O |w:6.5|
Structure:
Search PDB for entries with ligand similarity: