Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50037812
Substrate
n/a
Meas. Tech.
ChEMBL_157568 (CHEMBL763319)
Ki
20±n/a nM
Citation
 Podlogar, BL; Farr, RA; Friedrich, D; Tarnus, C; Huber, EW; Cregge, RJ; Schirlin, D Design, synthesis, and conformational analysis of a novel macrocyclic HIV-protease inhibitor. J Med Chem 37:3684-92 (1994) [PubMed]  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:
BDBM50037812
Synonyms:
CHEMBL331994 | MDL-104168 | N-Benzyl-2,2-difluoro-3-((9S,12S)-9-isopropyl-4,7,10-trioxo-2-oxa-5,8,11-triaza-bicyclo[12.2.2]octadeca-1(17),14(18),15-trien-12-yl)-3-oxo-propionamide
Type:
Small organic molecule
Emp. Form.:
C27H30F2N4O6
Mol. Mass.:
544.5471
SMILES:
CC(C)[C@@H]1NC(=O)CNC(=O)COc2ccc(C[C@H](NC1=O)C(=O)C(F)(F)C(=O)NCc1ccccc1)cc2
Structure:
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