Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50009246
Substrate
n/a
Meas. Tech.
ChEMBL_157875 (CHEMBL763270)
Ki
39000±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:
BDBM50009246
Synonyms:
(S)-2-((S)-2-Acetylamino-3-hydroxy-propionylamino)-pentanedioic acid 5-amide 1-[((S)-1-{(1S,2S)-1-benzyl-3-[(S)-1-((S)-1-carbamoyl-2-methyl-propylcarbamoyl)-2-methyl-propylcarbamoyl]-2-hydroxy-propylcarbamoyl}-2-carbamoyl-ethyl)-amide] | 1N-[1-[1-benzyl-3-[1-[1-carbamoyl-2-methyl-(1S)-propylcarbamoyl]-2-methyl-(1S)-propylcarbamoyl]-2-hydroxy-(1S,2S)-propylcarbamoyl]-2-carbamoyl-(1S)-ethyl]-2-[2-hydroxy-1-methylcarboxamido-(1S)-ethylcarboxamido]-(2S)-pentanediamide | CHEMBL297576
Type:
Small organic molecule
Emp. Form.:
C35H55N9O11
Mol. Mass.:
777.8649
SMILES:
CC(C)[C@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(N)=O
Structure:
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