Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50191463
Substrate
n/a
Meas. Tech.
ChEMBL_365384 (CHEMBL870314)
Ki
100±n/a nM
Citation
 Bannwarth, L; Kessler, A; Pèthe, S; Collinet, B; Merabet, N; Boggetto, N; Sicsic, S; Reboud-Ravaux, M; Ongeri, S Molecular tongs containing amino acid mimetic fragments: new inhibitors of wild-type and mutated HIV-1 protease dimerization. J Med Chem 49:4657-64 (2006) [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:
BDBM50191463
Synonyms:
CHEMBL378467 | methyl (2S)-2-[(2R)-2-[(2S)-2-{4-[(7-{3-[(1-{[1-(carbamoylmethyl)-2-oxo-1,2-dihydropyridin-3-yl]carbamoyl}-2-methylpropyl)carbamoyl]propoxy}naphthalen-2-yl)oxy]butanamido}-3-methylbutanamido]-4-methylpentanamido]-3-methylbutanoate
Type:
Small organic molecule
Emp. Form.:
C47H67N7O11
Mol. Mass.:
906.0752
SMILES:
COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NC(C(C)C)C(=O)Nc3cccn(CC(N)=O)c3=O)cc2c1)C(C)C)C(C)C
Structure:
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