Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50478337
Substrate
n/a
Meas. Tech.
ChEMBL_476088 (CHEMBL926963)
Ki
0.029±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:
BDBM50478337
Synonyms:
CHEMBL403306 | GRL-0036A
Type:
Small organic molecule
Emp. Form.:
C29H40N2O7S2
Mol. Mass.:
592.767
SMILES:
[H][C@@]12CCO[C@]1([H])C[C@@H](C2)OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1
Structure:
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