Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50285460
Substrate
n/a
Meas. Tech.
ChEBML_79467
IC50
0.760000±n/a nM
Citation
 Kim, BM; Guare, JP; Vacca, JD; Michelson, SR; Darke, PL; Zugay, JA; Emini, EA; Schleif, W; Lin, JH; Chen, IW; Vastag, K; Anderson, PS; Huff, JR Thiophene derivatives as extremely high affinity P3′ ligands for the hydroxyethylpiperazine class of HIV-1 protease inhibitors Bioorg Med Chem Lett 5:185-190 (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:
BDBM50285460
Synonyms:
((1S,2R)-1-Benzyl-3-{(S)-2-tert-butylcarbamoyl-4-[2-(5-ethyl-thiophen-2-yl)-ethyl]-piperazin-1-yl}-2-hydroxy-propyl)-carbamic acid (2R,3R)-2-isopropyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl ester | CHEMBL301193
Type:
Small organic molecule
Emp. Form.:
C35H54N4O6S2
Mol. Mass.:
690.956
SMILES:
CCc1ccc(CCN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@@H](C2)C(=O)NC(C)(C)C)s1
Structure:
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