Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50285455
Substrate
n/a
Meas. Tech.
ChEBML_79467
IC50
0.100000±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:
BDBM50285455
Synonyms:
CHEMBL293992 | [(1S,2R)-3-((S)-4-Benzo[b]thiophen-2-ylmethyl-2-tert-butylcarbamoyl-piperazin-1-yl)-1-benzyl-2-hydroxy-propyl]-carbamic acid (2R,3R)-2-isopropyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl ester
Type:
Small organic molecule
Emp. Form.:
C36H50N4O6S2
Mol. Mass.:
698.935
SMILES:
CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cc3ccccc3s2)C[C@H]1C(=O)NC(C)(C)C
Structure:
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