Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50121730
Substrate
n/a
Meas. Tech.
ChEBML_79946
Ki
0.250000±n/a nM
Citation
 Hidaka, K; Kimura, T; Hayashi, Y; McDaniel, KF; Dekhtyar, T; Colletti, L; Kiso, Y Design and synthesis of pseudo-symmetric HIV protease inhibitors containing a novel hydroxymethylcarbonyl (HMC)-hydrazide isostere. Bioorg Med Chem Lett 13:93-6 (2002) [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:
BDBM50121730
Synonyms:
CHEMBL366433 | {1-[(S)-3-{N-Benzyl-N'-[2-(2,6-dimethyl-phenoxy)-acetyl]-hydrazino}-2-hydroxy-3-oxo-1-((S)-phenylmethyl)-propylcarbamoyl]-2-methylsulfanyl-ethyl}-carbamic acid isoquinolin-5-ylmethyl ester
Type:
Small organic molecule
Emp. Form.:
C42H45N5O7S
Mol. Mass.:
763.901
SMILES:
CSC[C@H](NC(=O)OCc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)NC(=O)COc1c(C)cccc1C
Structure:
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