Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50191464
Substrate
n/a
Meas. Tech.
ChEMBL_365380 (CHEMBL870310)
Ki
200±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:
BDBM50191464
Synonyms:
CHEMBL212749 | methyl (2S)-2-[(2S)-2-[(2S)-2-(4-{[7-(3-{[(2S)-1-[(5-acetamido-2-methoxyphenyl)formohydrazido]-3-methyl-1-oxobutan-2-yl]carbamoyl}propoxy)naphthalen-2-yl]oxy}butanamido)-3-methylbutanamido]-4-methylpentanamido]-3-methylbutanoate
Type:
Small organic molecule
Emp. Form.:
C50H71N7O12
Mol. Mass.:
962.1384
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)NNC(=O)c3cc(NC(C)=O)ccc3OC)cc2c1)C(C)C)C(C)C
Structure:
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