Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50288203
Substrate
n/a
Meas. Tech.
ChEBML_157564
Ki
3±n/a nM
Citation
 Abbenante, G; Bergman, D; Brinkworth, R; March, D; Reid, R; Hunt, P; James, I; Dancer, R; Garnham, B; Stoermer, M; Fairlie, D Structure-activity relationships for macrocyclic peptidomimetic inhibitors of HIV-1 protease Bioorg Med Chem Lett 6:2531-2536 (1996)    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:
BDBM50288203
Synonyms:
1-{3-[2-(2-Acetylamino-4-methyl-pentanoylamino)-1-carbamoyl-2-oxo-ethylamino]-2-hydroxy-4-phenyl-butyl}-pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-2-methyl-propylcarbamoyl)-2-methyl-butyl]-amide | CHEMBL315957
Type:
Small organic molecule
Emp. Form.:
C38H62N8O8
Mol. Mass.:
758.9477
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](C(C)C)C(N)=O
Structure:
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