Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM881
Substrate
n/a
Meas. Tech.
ChEBML_157569
IC50
0.450000±n/a nM
Citation
 Tucker, TJ; Lumma, WC; Payne, LS; Wai, JM; de Solms, SJ; Giuliani, EA; Darke, PL; Heimbach, JC; Zugay, JA; Schleif, WA A series of potent HIV-1 protease inhibitors containing a hydroxyethyl secondary amine transition state isostere: synthesis, enzyme inhibition, and antiviral activity. J Med Chem 35:2525-33 (1992) [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:
BDBM881
Synonyms:
L-685,434 derivative | L-689,502 | N-(2(R)-Hydroxy-1(S)-indanyl)-5(S)-[(tert-butyloxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2(R)-[[4-[2-(4-morpholinyl)ethoxy]phenyl]methl]hexanamide | tert-butyl N-[(2S,3S,5R)-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-5-({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-1-phenylpentan-2-yl]carbamate
Type:
Small organic molecule
Emp. Form.:
C39H51N3O7
Mol. Mass.:
673.8381
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Structure:
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