Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM17351
Substrate
n/a
Meas. Tech.
ChEMBL_399772 (CHEMBL910307)
Ki
4.1±n/a nM
Citation
 Skalova, T; Dohnalek, J; Duskova, J; Petrokova, H; Hradílek, M; Soucek, M; Konvalinka, J; Hasek, J HIV-1 protease mutations and inhibitor modifications monitored on a series of complexes. Structural basis for the effect of the A71V mutation on the active site. J Med Chem 49:5777-84 (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:
BDBM17351
Synonyms:
(4S)-4-[(2S)-2-{[(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-phenylbutyl]amino}-3-phenylpropanamido]-4-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}butanoic acid | CHEMBL215431
Type:
Small organic molecule
Emp. Form.:
C38H49N5O7
Mol. Mass.:
687.825
SMILES:
CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 |r|
Structure:
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