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Target
Protease
Ligand
BDBM50067593
Substrate
n/a
Meas. Tech.
ChEMBL_1466205 (CHEMBL3405129)
Temperature
298.15±n/a K
IC50
0.880000±n/a nM
Comments
extracted
Citation
 Yang, ZH; Bai, XG; Zhou, L; Wang, JX; Liu, HT; Wang, YC Synthesis and biological evaluation of novel HIV-1 protease inhibitors using tertiary amine as P2-ligands. Bioorg Med Chem Lett 25:1880-3 (2015) [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:
BDBM50067593
Synonyms:
CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK-639 | US10806794, Compound Indinavir
Type:
Small organic molecule
Emp. Form.:
C36H47N5O4
Mol. Mass.:
613.7895
SMILES:
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Structure:
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