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Target
Amyloid-beta precursor protein
Ligand
BDBM155104
Substrate
n/a
Meas. Tech.
Release Assay
Temperature
310.15±n/a K
IC50
1.6±n/a nM
Comments
extracted
Citation
 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L 2H-imidazol-4-amine compounds and their use as BACE inhibitors US Patent  US9000182 Publication Date 4/7/2015 
Target
Name:
Amyloid-beta precursor protein
Synonyms:
A4 | A4_HUMAN | ABPP | AD1 | AICD-50 | AICD-57 | AICD-59 | AID(50) | AID(57) | AID(59) | APP | APPI | Alzheimer disease amyloid protein | Amyloid beta A4 protein | Amyloid beta Protein | Amyloid beta protein (sAPPbeta) | Amyloid beta protein Abeta(1-42) | Amyloid intracellular domain 50 | Amyloid intracellular domain 57 | Amyloid intracellular domain 59 | Amyloid protein (Abeta42b) | Amyloid β-protein (Aβ42) | Beta amyloid A4 protein | Beta-APP40 | Beta-APP42 | Beta-amyloid protein 40 | Beta-amyloid protein 42 | C31 | C83 | C99 | CVAP | Cerebral vascular amyloid peptide | Gamma Secretase | Gamma-CTF(50) | Gamma-CTF(57) | Gamma-CTF(59) | Gamma-secretase | Gamma-secretase C-terminal fragment 50 | Gamma-secretase C-terminal fragment 57 | Gamma-secretase C-terminal fragment 59 | P3(40) | P3(42) | PN-II | PreA4 | Protease nexin-II | S-APP-alpha | S-APP-beta | Soluble APP-alpha | Soluble APP-beta | beta-Amyloid Precursor Protein (APP)
Type:
Single-pass type I membrane protein
Mol. Mass.:
86890.41
Organism:
Homo sapiens (Human)
Description:
P05067
Residue:
770
Sequence:
MLPGLALLLLAAWTARALEVPTDGNAGLLAEPQIAMFCGRLNMHMNVQNGKWDSDPSGTKTCIDTKEGILQYCQEVYPELQITNVVEANQPVTIQNWCKRGRKQCKTHPHFVIPYRCLVGEFVSDALLVPDKCKFLHQERMDVCETHLHWHTVAKETCSEKSTNLHDYGMLLPCGIDKFRGVEFVCCPLAEESDNVDSADAEEDDSDVWWGGADTDYADGSEDKVVEVAEEEEVAEVEEEEADDDEDDEDGDEVEEEAEEPYEEATERTTSIATTTTTTTESVEEVVREVCSEQAETGPCRAMISRWYFDVTEGKCAPFFYGGCGGNRNNFDTEEYCMAVCGSAMSQSLLKTTQEPLARDPVKLPTTAASTPDAVDKYLETPGDENEHAHFQKAKERLEAKHRERMSQVMREWEEAERQAKNLPKADKKAVIQHFQEKVESLEQEAANERQQLVETHMARVEAMLNDRRRLALENYITALQAVPPRPRHVFNMLKKYVRAEQKDRQHTLKHFEHVRMVDPKKAAQIRSQVMTHLRVIYERMNQSLSLLYNVPAVAEEIQDEVDELLQKEQNYSDDVLANMISEPRISYGNDALMPSLTETKTTVELLPVNGEFSLDDLQPWHSFGADSVPANTENEVEPVDARPAADRGLTTRPGSGLTNIKTEEISEVKMDAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIATVIVITLVMLKKKQYTSIHHGVVEVDAAVTPEERHLSKMQQNGYENPTYKFFEQMQN
  
Inhibitor
Name:
BDBM155104
Synonyms:
US9000182, 13, isomer 1
Type:
Small organic molecule
Emp. Form.:
C21H26F3N3O2
Mol. Mass.:
409.4452
SMILES:
CC1=N[C@]2(N=C1N)c1cc(OCCCF)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F |r,wU:3.2,wD:19.20,22.28,c:4,t:1,(-.62,3.33,;.15,1.99,;-.76,.75,;.15,-.5,;1.61,-.02,;1.61,1.52,;2.95,2.29,;-1.32,-.98,;-2.65,-.21,;-3.98,-.98,;-5.32,-.21,;-5.32,1.33,;-6.65,2.1,;-6.65,3.64,;-7.98,4.41,;-3.98,-2.52,;-2.65,-3.29,;-1.32,-2.52,;.15,-2.99,;1.05,-1.75,;1.82,-.41,;3.36,-.41,;4.13,-1.75,;3.36,-3.08,;1.82,-3.08,;5.67,-1.75,;6.44,-3.08,;7.98,-3.08,;5.67,-4.41,)|
Structure:
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