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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50041945
Substrate
n/a
Meas. Tech.
ChEBML_158994
IC50
3±n/a nM
Citation
 Wonacott, A; Cooke, R; Hayes, FR; Hann, MM; Jhoti, H; McMeekin, P; Mistry, A; Murray-Rust, P; Singh, OM; Weir, MP A series of penicillin-derived C2-symmetric inhibitors of HIV-1 proteinase: structural and modeling studies. J Med Chem 36:3113-9 (1993) [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:
BDBM50041945
Synonyms:
1N-ethyl-2-benzylcarboxamido-2-[4-{2-[2-benzylcarboxamido(ethylcarbamoyl)methyl-5,5-dimethyl-(2R,4S)-1,3-thiazolan-4-ylcarboxamido]ethylcarbamoyl}-3,5,5-trimethyl-(2S,4S)-tetrahydro-2-thiophenyl]acetamide | CHEMBL318379
Type:
Small organic molecule
Emp. Form.:
C38H54N8O6S2
Mol. Mass.:
783.015
SMILES:
CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1NC(C(=O)NCCNC(=O)[C@@H]2N[C@H](SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCC)C(C)(C)S1
Structure:
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