Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50061307
Substrate
n/a
Meas. Tech.
ChEBML_157737
Ki
3±n/a nM
Citation
 Kalish, VJ; Tatlock, JH; Davies, JF; Kaldor, SW; Dressman, BA; Reich, S; Pino, M; Nyugen, D; Appelt, K; Musick, L; Wu, Bw Structure-based drug design of nonpeptidic P2 substituents for HIV-1 protease inhibitors Bioorg Med Chem Lett 5:727-732 (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:
BDBM50061307
Synonyms:
AG-1254 | CHEMBL128696 | N-[(1R,2R)-3-(2-tert-Butylcarbamoyl-phenyl)-2-hydroxy-1-(naphthalen-2-ylsulfanylmethyl)-propyl]-3-hydroxy-2-methyl-benzamide
Type:
Small organic molecule
Emp. Form.:
C33H36N2O4S
Mol. Mass.:
556.715
SMILES:
Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C
Structure:
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