Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50069332
Substrate
n/a
Meas. Tech.
ChEMBL_157550 (CHEMBL763137)
Ki
3400±n/a nM
Citation
 Yao, S; Zutshi, R; Chmielewski, J Endothiopeptide inhibitors of HIV-1 protease. Bioorg Med Chem Lett 8:699-704 (1999) [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:
BDBM50069332
Synonyms:
(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-tert-Butoxycarbonylamino-propionylamino)-propionylamino]-3-phenyl-propionylamino}-3-phenyl-propionylamino)-3-methyl-thiobutyrylamino]-3-methyl-butyric acid methyl ester | CHEMBL161243
Type:
Small organic molecule
Emp. Form.:
C40H58N6O8S
Mol. Mass.:
782.989
SMILES:
COC(=O)[C@@H](NC(=S)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)C(C)C
Structure:
Search PDB for entries with ligand similarity: