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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50082752
Substrate
n/a
Meas. Tech.
ChEMBL_159781 (CHEMBL763106)
IC50
227000±n/a nM
Citation
 Hilgeroth, A; Wiese, M; Billich, A Synthesis and biological evaluation of the first N-alkyl cage dimeric 4-aryl-1,4-dihydropyridines as novel nonpeptidic HIV-1 protease inhibitors. J Med Chem 42:4729-32 (1999) [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:
BDBM50082752
Synonyms:
1,5,7,11-Tetrahydroxymethyl-6,12-diphenyl-3,9-diazahexacyclo[6.4.0.0e 2.7 .0e 4.11.0e 5.10]dodecane | CHEMBL146604
Type:
Small organic molecule
Emp. Form.:
C26H30N2O4
Mol. Mass.:
434.5274
SMILES:
OC[C@@]12C3NC4[C@]5(CO)C(NC1[C@@]3(CO)[C@@H]5c1ccccc1)[C@@]4(CO)[C@H]2c1ccccc1 |wU:15.18,6.6,12.14,wD:25.31,22.27,2.1,TLB:9:6:22.2.25:4,11:12:22.2.25:4,26:25:5.3.4:9.11.10,26:25:6.12.15:4,23:22:6.12.15:4,7:6:22.2.25:4,THB:1:2:6.12.15:4,13:12:22.2.25:4,9:22:6.12.15:4,11:2:6.12.15:4,16:15:22.2.25:4,(-.37,-4.33,;1.27,-4.33,;2.65,-2.24,;1.07,-3.29,;.38,-1.93,;1.2,-.64,;2.72,-.72,;3.37,1.43,;2.89,2.64,;3.79,.45,;4.56,-.86,;3.94,-2.81,;2.6,-3.37,;3.34,-4.69,;2.58,-6.03,;3.43,-2.08,;5.41,-3,;5.41,-4.55,;6.74,-5.32,;8.07,-4.55,;8.07,-3,;6.74,-2.22,;2.27,.45,;1.17,1.55,;1.58,3.04,;2.08,-1.29,;.03,-.64,;-1.3,-1.41,;-2.61,-.64,;-2.61,.9,;-1.3,1.67,;.03,.9,)|
Structure:
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