Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50283282
Substrate
n/a
Meas. Tech.
ChEBML_79467
IC50
0.540000±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:
BDBM50283282
Synonyms:
CHEMBL55586 | L-738872 | {(1S,2R)-1-Benzyl-3-[(S)-2-tert-butylcarbamoyl-4-(2-chloro-6-methyl-pyridin-4-ylmethyl)-piperazin-1-yl]-2-hydroxy-propyl}-carbamic acid (2R,3R)-2-isopropyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl ester | {(1S,2R)-1-Benzyl-3-[2-((R)-tert-butylcarbamoyl)-4-(2-chloro-6-methyl-pyridin-4-ylmethyl)-piperazin-1-yl]-2-hydroxy-propyl}-carbamic acid (R)-2-isopropyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl ester
Type:
Small organic molecule
Emp. Form.:
C34H50ClN5O6S
Mol. Mass.:
692.309
SMILES:
CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cc(C)nc(Cl)c2)C[C@H]1C(=O)NC(C)(C)C
Structure:
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