Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50037811
Substrate
n/a
Meas. Tech.
ChEMBL_79973 (CHEMBL690411)
Ki
5±n/a nM
Citation
 Schirlin, D; Dorsselaer, VV; Tarnus, C; Taylor, DL; Tyms, AS; Baltzer, S; Weber, F; Remy, JM; Brennan, T; Farr, R; Janowick, D Beneficial replacement of the P1 phenylalanine side chain in HIV-1 protease inhibitors of the difluorostatone type Bioorg Med Chem Lett 4:241-246 (1994)    Article 
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50037811
Synonyms:
CHEMBL123016 | {(S)-1-[(S)-3-Benzylcarbamoyl-1-(4-benzyloxy-benzyl)-3,3-difluoro-2-oxo-propylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C38H39F2N3O6
Mol. Mass.:
671.7296
SMILES:
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1
Structure:
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