Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]
Ligand
BDBM50462131
Substrate
n/a
Meas. Tech.
ChEMBL_1772761 (CHEMBL4229753)
Ki
2.7±n/a nM
Citation
 Ramesh, R; Reddy, DS Quest for Novel Chemical Entities through Incorporation of Silicon in Drug Scaffolds. J Med Chem 61:3779-3798 (2018) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]
Synonyms:
HIV-1 protease | HIV-1 protease (G48V) | HIV-1 protease (V82A) | POL_HV1N5 | gag-pol
Type:
Protein
Mol. Mass.:
10827.77
Organism:
Human immunodeficiency virus
Description:
P12497[489-587,G537V,H558K,V571A]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIVGIGGFIKVRQYDQILIEICGKKAIGTVLVGPTPANIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50462131
Synonyms:
CHEMBL2182010
Type:
Small organic molecule
Emp. Form.:
C38H42N2O6Si
Mol. Mass.:
650.8354
SMILES:
[#8]-[#6@@H]-1-[#6]-c2ccccc2-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#6][Si;v4]([#8])([#8])[#6]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#8])-[#6]-c2ccccc-12 |r|
Structure:
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