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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50074687
Substrate
n/a
Meas. Tech.
ChEMBL_159770 (CHEMBL763095)
IC50
2000±n/a nM
Citation
 Bouras, A; Boggetto, N; Benatalah, Z; de Rosny, E; Sicsic, S; Reboud-Ravaux, M Design, synthesis, and evaluation of conformationally constrained tongs, new inhibitors of HIV-1 protease dimerization. J Med Chem 42:957-62 (1999) [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:
BDBM50074687
Synonyms:
2-[2-(2-{4-[7-(3-{1-[1-(1-Methoxycarbonyl-2-methyl-propylcarbamoyl)-3-methyl-butylcarbamoyl]-2-methyl-propylcarbamoyl}-propoxy)-naphthalen-2-yloxy]-butyrylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-3-methyl-butyric acid methyl ester; Dihydrate | CHEMBL412382 | methyl (2S)-2-[(2S)-2-[(2S)-2-(4-{[7-(3-{[(1S)-1-{[(1S)-1-{[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylpropyl]carbamoyl}propoxy)naphthalen-2-yl]oxy}butanamido)-3-methylbutanamido]-4-methylpentanamido]-3-methylbutanoate
Type:
Small organic molecule
Emp. Form.:
C52H82N6O12
Mol. Mass.:
983.2405
SMILES:
COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2c1)C(C)C)C(C)C
Structure:
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