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Target
Presenilin-1
Ligand
BDBM50554086
Substrate
n/a
Meas. Tech.
ChEMBL_2048439 (CHEMBL4703138)
IC50
57±n/a nM
Citation
 Rynearson, KD; Buckle, RN; Herr, RJ; Mayhew, NJ; Chen, X; Paquette, WD; Sakwa, SA; Yang, J; Barnes, KD; Nguyen, P; Mobley, WC; Johnson, G; Lin, JH; Tanzi, RE; Wagner, SL Design and synthesis of novel methoxypyridine-derived gamma-secretase modulators. Bioorg Med Chem 28:0 (2020) [PubMed]  Article 
Target
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:
MTELPAPLSYFQNAQMSEDNHLSNTVRSQNDNRERQEHNDRRSLGHPEPLSNGRPQGNSRQVVEQDEEEDEELTLKYGAKHVIMLFVPVTLCMVVVVATIKSVSFYTRKDGQLIYTPFTEDTETVGQRALHSILNAAIMISVIVVMTILLVVLYKYRCYKVIHAWLIISSLLLLFFFSFIYLGEVFKTYNVAVDYITVALLIWNFGVVGMISIHWKGPLRLQQAYLIMISALMALVFIKYLPEWTAWLILAVISVYDLVAVLCPKGPLRMLVETAQERNETLFPALIYSSTMVWLVNMAEGDPEAQRRVSKNSKYNAESTERESQDTVAENDDGGFSEEWEAQRDSHLGPHRSTPESRAAVQELSSSILAGEDPEERGVKLGLGDFIFYSVLVGKASATASGDWNTTIACFVAILIGLCLTLLLLAIFKKALPALPISITFGLVFYFATDYLVQPFMDQLAFHQFYI
  
Inhibitor
Name:
BDBM50554086
Synonyms:
CHEMBL4746048
Type:
Small organic molecule
Emp. Form.:
C22H22F3N7OS
Mol. Mass.:
489.517
SMILES:
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2CC(F)(F)F)n1
Structure:
Search PDB for entries with ligand similarity: