Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50478138
Substrate
n/a
Meas. Tech.
ChEMBL_469686 (CHEMBL946814)
Ki
0.134±n/a nM
Citation
 Mimoto, T; Nojima, S; Terashima, K; Takaku, H; Shintani, M; Hayashi, H Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure. Bioorg Med Chem 16:1299-308 (2008) [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:
BDBM50478138
Synonyms:
CHEMBL256934 | SM-309515
Type:
Small organic molecule
Emp. Form.:
C33H39ClN4O5S
Mol. Mass.:
639.205
SMILES:
COc1cccc(C[C@H](NC(=O)c2cccc(N)c2Cl)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)NCc2c(C)cccc2C)c1
Structure:
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