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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50010498
Substrate
n/a
Meas. Tech.
ChEMBL_160732 (CHEMBL878991)
IC50
420±n/a nM
Citation
 Krohn, A; Redshaw, S; Ritchie, JC; Graves, BJ; Hatada, MH Novel binding mode of highly potent HIV-proteinase inhibitors incorporating the (R)-hydroxyethylamine isostere. J Med Chem 34:3340-2 (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:
BDBM50010498
Synonyms:
CHEMBL115376 | methyl 2-[1-(3-{2-carbamoyl-1-[1-(2-hydroxy-1-methylcarboxamidoethylcarboxamido)-3-methylbutylcarboxamido]ethylcarboxamido}-2-hydroxy-4-phenylbutyl)tetrahydro-1H-2-pyrrolylcarboxamido]-3-methylpentanoate
Type:
Small organic molecule
Emp. Form.:
C37H59N7O10
Mol. Mass.:
761.9053
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)OC
Structure:
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