Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50009247
Substrate
n/a
Meas. Tech.
ChEMBL_157875 (CHEMBL763270)
Ki
1200±n/a nM
Citation
 Huff, JR HIV protease: a novel chemotherapeutic target for AIDS. J Med Chem 34:2305-14 (1991) [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:
BDBM50009247
Synonyms:
(S)-2-[(S)-2-((3S,4S)-4-{(S)-2-[(S)-2-((S)-2-Amino-3-hydroxy-propionylamino)-propionylamino]-propionylamino}-3-hydroxy-5-phenyl-pentanoylamino)-3-methyl-butyrylamino]-3-methyl-butyric acid methyl ester | CHEMBL52495 | methyl 2-[1-[3-[1-[1-[1-amino-2-hydroxy-(1S)-ethylcarboxamido]-(1S)-ethylcarboxamido]-(1S)-ethylcarboxamido]-2-hydroxy-4-phenyl-(2S,3S)-butylcarboxamido]-2-methyl-(1S)-propylcarboxamido]-3-methyl-(2S)-butanoate
Type:
Small organic molecule
Emp. Form.:
C31H50N6O9
Mol. Mass.:
650.7635
SMILES:
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(C)C
Structure:
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