Reaction Details Report a problem with these data
Target
Amyloid-beta precursor protein
Ligand
BDBM155111
Substrate
n/a
Meas. Tech.
Release Assay
Temperature
310.15±n/a K
IC50
16±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:
BDBM155111
Synonyms:
US9000182, 18
Type:
Small organic molecule
Emp. Form.:
C22H31N3O2
Mol. Mass.:
369.5004
SMILES:
CC[C@@H](C)Oc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:10.9,13.16,2.3,c:24,t:20,(-7.88,-1,;-6.55,-.23,;-5.21,-1,;-5.21,-2.54,;-3.88,-.23,;-2.55,-1,;-2.55,-2.54,;-1.21,-3.31,;.12,-2.54,;1.59,-3.01,;2.49,-1.77,;3.26,-.43,;4.8,-.43,;5.57,-1.77,;4.8,-3.1,;3.26,-3.1,;7.11,-1.77,;7.88,-3.1,;1.59,-.52,;.68,.73,;1.59,1.97,;.82,3.31,;3.05,1.5,;4.38,2.27,;3.05,-.04,;.12,-1,;-1.21,-.23,)|
Structure:
Search PDB for entries with ligand similarity: