Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50109706
Substrate
n/a
Meas. Tech.
ChEMBL_159447 (CHEMBL766793)
IC50
0.600±n/a nM
Citation
 Cheng, Y; Rano, TA; Huening, TT; Zhang, F; Lu, Z; Schleif, WA; Gabryelski, L; Olsen, DB; Stahlhut, M; Kuo, LC; Lin, JH; Xu, X; Jin, L; Olah, TV; McLoughlin, DA; King, RC; Chapman, KT; Tata, JR A combinatorial library of indinavir analogues and its in vitro and in vivo studies. Bioorg Med Chem Lett 12:529-32 (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:
BDBM50109706
Synonyms:
(S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-[5-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-thiophen-2-ylmethyl]-piperazine-2-carboxylic acid tert-butylamide | CHEMBL149166
Type:
Small organic molecule
Emp. Form.:
C40H49F3N6O4S
Mol. Mass.:
766.915
SMILES:
Cn1nc(cc1-c1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)s1)C(F)(F)F
Structure:
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