Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50037125
Substrate
n/a
Meas. Tech.
ChEMBL_157870 (CHEMBL879227)
Ki
120±n/a nM
Citation
 Thompson, SK; Murthy, KH; Zhao, B; Winborne, E; Green, DW; Fisher, SM; DesJarlais, RL; Tomaszek, TA; Meek, TD; Gleason, JG Rational design, synthesis, and crystallographic analysis of a hydroxyethylene-based HIV-1 protease inhibitor containing a heterocyclic P1'--P2' amide bond isostere. J Med Chem 37:3100-7 (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:
BDBM50037125
Synonyms:
CHEMBL107849 | {(S)-1-Benzyl-4-[(S)-1-(carbamoylmethyl-carbamoyl)-2-phenyl-ethylamino]-3-hydroxy-2-oxo-butyl}-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C27H36N4O6
Mol. Mass.:
512.5979
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C(O)CN[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Structure:
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