Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50283809
Substrate
n/a
Meas. Tech.
ChEBML_79969
Ki
255±n/a nM
Citation
 Ettmayer, P; Hübner, M; Andreas, B; Brigitte, R; Hubert, G Novel, extended transition state mimic in HIV-1 protease inhibitors with peripheral C-2-symmetry Bioorg Med Chem Lett 4:2851-2856 (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:
BDBM50283809
Synonyms:
CHEMBL318965 | {(S)-1-[(1S,2R,3R,4S)-1-Benzyl-4-(2-benzyloxycarbonylamino-3,3-dimethyl-butyrylamino)-2-hydroxy-3-hydroxymethyl-5-phenyl-pentylcarbamoyl]-2,2-dimethyl-propyl}-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C47H60N4O8
Mol. Mass.:
809.0013
SMILES:
CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](CO)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: