Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50219021
Substrate
n/a
Meas. Tech.
ChEMBL_79961 (CHEMBL687732)
IC50
<0.100000±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:
BDBM50219021
Synonyms:
CHEMBL1203459
Type:
Small organic molecule
Emp. Form.:
C41H53ClN6O6S
Mol. Mass.:
793.414
SMILES:
Cl.CN(C)c1ccc2cc(ccc2n1)S(=O)(=O)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C |r|
Structure:
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