Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50009240
Substrate
n/a
Meas. Tech.
ChEMBL_157875 (CHEMBL763270)
Ki
18±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:
BDBM50009240
Synonyms:
CHEMBL74502 | methyl 2-[1-[4-[1-[1-amino-(1S)-ethylcarboxamido]-(1S)-ethylcarboxamido]-3-hydroxy-5-phenyl-(3R,4R)-pentylcarboxamido]-2-methyl-(1S)-propylcarboxamido]-3-methyl-(2S)-butanoate
Type:
Small organic molecule
Emp. Form.:
C29H47N5O7
Mol. Mass.:
577.7128
SMILES:
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C
Structure:
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