Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50281571
Substrate
n/a
Meas. Tech.
ChEBML_162612
IC50
14±n/a nM
Citation
 Holmes, DS; Clemens, IR; Cobley, KN; Humber, DC; Kitchin, J; Orr, DC; Patel, B; Paternoster, IL; Storer, R Novel dimeric penicillin derived inhibitors of HIV-1 proteinase: interaction with the catalytic aspartates Bioorg Med Chem Lett 3:503-508 (1993)    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:
BDBM50281571
Synonyms:
1N-benzyl-2-[4-[4-[2-benzylcarbamoyl(benzylcarboxamido)methyl-5,5-dimethyl-(2R,4S)-1,3-thiazolan-4-ylcarboxamido]-2,3-dihydroxy-(2R,3S)-butylcarbamoyl]-5,5-dimethyl-(2R,4S)-1,3-thiazolan-2-yl]-2-benzylcarboxamidoacetamide | CHEMBL436694
Type:
Small organic molecule
Emp. Form.:
C50H62N8O8S2
Mol. Mass.:
967.206
SMILES:
CC1(C)S[C@@H](N[C@H]1C(=O)NC[C@H](O)[C@H](O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1
Structure:
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