Reaction Details Report a problem with these data
Target
Presenilin-1
Ligand
BDBM50484975
Substrate
n/a
Meas. Tech.
ChEMBL_813314 (CHEMBL2019435)
IC50
30±n/a nM
Citation
 Crump, CJ; am Ende, CW; Ballard, TE; Pozdnyakov, N; Pettersson, M; Chau, DM; Bales, KR; Li, YM; Johnson, DS Development of clickable active site-directed photoaffinity probes for ?-secretase. Bioorg Med Chem Lett 22:2997-3000 (2012) [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:
BDBM50484975
Synonyms:
CHEMBL2017497
Type:
Small organic molecule
Emp. Form.:
C61H81N7O9S
Mol. Mass.:
1088.402
SMILES:
[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCNC(=O)[C@H](Cc3ccc(cc3)C(=O)c3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)Cc3ccccc3)[C@@]1([H])NC(=O)N2 |r|
Structure:
Search PDB for entries with ligand similarity: