Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM13925
Substrate
n/a
Meas. Tech.
ChEMBL_476088 (CHEMBL926963)
Ki
0.0035±n/a nM
Citation
 Koh, Y; Matsumi, S; Das, D; Amano, M; Davis, DA; Li, J; Leschenko, S; Baldridge, A; Shioda, T; Yarchoan, R; Ghosh, AK; Mitsuya, H Potent inhibition of HIV-1 replication by novel non-peptidyl small molecule inhibitors of protease dimerization. J Biol Chem 282:28709-20 (2007) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus 1 (HIV-1)
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM13925
Synonyms:
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl N-[(2S,3R)-3-hydroxy-4-{[4-(hydroxymethyl)benzene](2-methylpropyl)sulfonamido}-1-phenylbutan-2-yl]carbamate | GRL-06579A | hexahydrocyclopenta[b]furanyl urethane analog 3
Type:
Small organic molecule
Emp. Form.:
C29H40N2O7S
Mol. Mass.:
560.702
SMILES:
[H][C@]1(C[C@]2([H])CCO[C@]2([H])C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: