Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50480920
Substrate
n/a
Meas. Tech.
ChEMBL_830321 (CHEMBL2060910)
Kd
1.1±n/a nM
Citation
 Domínguez, JL; Gossas, T; Carmen Villaverde, M; Helena Danielson, U; Sussman, F Experimental and 'in silico' analysis of the effect of pH on HIV-1 protease inhibitor affinity: implications for the charge state of the protein ionogenic groups. Bioorg Med Chem 20:4838-47 (2012) [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:
BDBM50480920
Synonyms:
CHEMBL367384
Type:
Small organic molecule
Emp. Form.:
C38H40N2O8
Mol. Mass.:
652.7328
SMILES:
O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Structure:
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