Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetPresenilin-1
LigandBDBM50480051
Substrate/Competitorn/a
Meas. Tech.ChEMBL_523678 (CHEMBL997193)
IC50 0.060000±n/a nM
Citation Keown, LECollins, ICooper, LCHarrison, TMadin, AMistry, JReilly, MShaimi, MWelch, CJClarke, EELewis, HDWrigley, JDBest, JDMurray, FShearman, MS Novel orally bioavailable gamma-secretase inhibitors with excellent in vivo activity. J Med Chem52:3441-4 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Presenilin-1
Name:Presenilin-1
Synonyms:3.4.23.- | AD3 | Gamma-Secretase Subunit Presenilin-1 | PS-1 | PS1 | PS1-CTF12 | PSEN1 | PSN1_HUMAN | PSNL1 | Presenilin-1 CTF subunit | Presenilin-1 CTF12 | Presenilin-1 NTF subunit | Protein S182
Type:n/a
Mol. Mass.:52657.13
Organism:Homo sapiens (Human)
Description:P49768
Residue:467
Sequence:
MTELPAPLSYFQNAQMSEDNHLSNTVRSQNDNRERQEHNDRRSLGHPEPLSNGRPQGNSR
QVVEQDEEEDEELTLKYGAKHVIMLFVPVTLCMVVVVATIKSVSFYTRKDGQLIYTPFTE
DTETVGQRALHSILNAAIMISVIVVMTILLVVLYKYRCYKVIHAWLIISSLLLLFFFSFI
YLGEVFKTYNVAVDYITVALLIWNFGVVGMISIHWKGPLRLQQAYLIMISALMALVFIKY
LPEWTAWLILAVISVYDLVAVLCPKGPLRMLVETAQERNETLFPALIYSSTMVWLVNMAE
GDPEAQRRVSKNSKYNAESTERESQDTVAENDDGGFSEEWEAQRDSHLGPHRSTPESRAA
VQELSSSILAGEDPEERGVKLGLGDFIFYSVLVGKASATASGDWNTTIACFVAILIGLCL
TLLLLAIFKKALPALPISITFGLVFYFATDYLVQPFMDQLAFHQFYI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50480051
n/a
NameBDBM50480051
Synonyms:CHEMBL512282
TypeSmall organic molecule
Emp. Form.C26H25F5N4O2S
Mol. Mass.552.559
SMILES[H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cc(-c3ccc(F)cc3F)n(C)n1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: