Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50285964
Substrate
n/a
Meas. Tech.
ChEBML_79955
IC50
0.500000±n/a nM
Citation
 Munroe, JE; Hornback, WJ; Campbell, JB; Ouellette, MA; Hatch, SD; Muesing, MA; Wiskerchen, MA; Baxter, AJ; Su, K; Campanale, K Ly316340: A potent HIV-1 protease inhibitor containing a high affinity octahydrothienopyridine hydroxyethylamine isostere Bioorg Med Chem Lett 5:2885-2890 (1995)    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:
BDBM50285964
Synonyms:
(3aR,6S,7aS)-5-[(2R,3S)-2-Hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl-butyl]-octahydro-thieno[3,2-c]pyridine-6-carboxylic acid tert-butylamide | CHEMBL98096
Type:
Small organic molecule
Emp. Form.:
C30H41N3O4S
Mol. Mass.:
539.729
SMILES:
Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C
Structure:
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