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Target
Beta-secretase 1
Ligand
BDBM16677
Substrate
APP_NFEV
Meas. Tech.
BACE Electrochemiluminescence (ECL)-Based Assay
Temperature
310.15±n/a K
IC50
34±n/a nM
Citation
 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Discovery and SAR of isonicotinamide BACE-1 inhibitors that bind beta-secretase in a N-terminal 10s-loop down conformation. Bioorg Med Chem Lett 17:1788-92 (2007) [PubMed]  Article 
Target
Name:
Beta-secretase 1
Synonyms:
ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1)
Type:
Protein
Mol. Mass.:
55755.10
Organism:
Homo sapiens (Human)
Description:
P56817
Residue:
501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM16677
Synonyms:
Mixture of trans methyl(cyclopropylmethyl)diastereomers. | N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-(N-methylmethanesulfonamido)pyridine-4-carboxamide | isonicotinamide, 16
Type:
Small organic molecule
Emp. Form.:
C22H31N5O3S
Mol. Mass.:
445.578
SMILES:
C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CN)Cc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
APP_NFEV
Synonyms:
Amyloid beta A4 protein precursor beta-site mutant
Type:
Other Protein Type
Mol. Mass.:
86933.39
Organism:
Homo sapiens (Human)
Description:
It is the fusion protein containing the maltose-binding protein at the N-terminal end connected to the full-length APP_NFEV.
Residue:
770
Sequence:
MLPGLALLLLAAWTARALEVPTDGNAGLLAEPQIAMFCGRLNMHMNVQNGKWDSDPSGTKTCIDTKEGILQYCQEVYPELQITNVVEANQPVTIQNWCKRGRKQCKTHPHFVIPYRCLVGEFVSDALLVPDKCKFLHQERMDVCETHLHWHTVAKETCSEKSTNLHDYGMLLPCGIDKFRGVEFVCCPLAEESDNVDSADAEEDDSDVWWGGADTDYADGSEDKVVEVAEEEEVAEVEEEEADDDEDDEDGDEVEEEAEEPYEEATERTTSIATTTTTTTESVEEVVREVCSEQAETGPCRAMISRWYFDVTEGKCAPFFYGGCGGNRNNFDTEEYCMAVCGSAMSQSLLKTTQEPLARDPVKLPTTAASTPDAVDKYLETPGDENEHAHFQKAKERLEAKHRERMSQVMREWEEAERQAKNLPKADKKAVIQHFQEKVESLEQEAANERQQLVETHMARVEAMLNDRRRLALENYITALQAVPPRPRHVFNMLKKYVRAEQKDRQHTLKHFEHVRMVDPKKAAQIRSQVMTHLRVIYERMNQSLSLLYNVPAVAEEIQDEVDELLQKEQNYSDDVLANMISEPRISYGNDALMPSLTETKTTVELLPVNGEFSLDDLQPWHSFGADSVPANTENEVEPVDARPAADRGLTTRPGSGLTNIKTEEISEVNFEVEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIATVIVITLVMLKKKQYTSIHHGVVEVDAAVTPEERHLSKMQQNGYENPTYKFFEQMQN