Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM9236
Substrate
n/a
Meas. Tech.
ChEMBL_476088 (CHEMBL926963)
Ki
0.010±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:
BDBM9236
Synonyms:
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[(4-methoxybenzene)(2-methylpropyl)sulfonamido]-1-phenylbutan-2-yl]carbamate | TMC-126 | UIC-94003
Type:
Small organic molecule
Emp. Form.:
C28H38N2O8S
Mol. Mass.:
562.675
SMILES:
[H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: