Reaction Details Report a problem with these data
Target
Major prion protein
Ligand
BDBM50333115
Substrate
n/a
Meas. Tech.
ChEMBL_691098 (CHEMBL1635195)
Kd
21900±n/a nM
Citation
 Hosokawa-Muto, J; Kamatari, YO; Nakamura, HK; Kuwata, K Variety of antiprion compounds discovered through an in silico screen based on cellular-form prion protein structure: Correlation between antiprion activity and binding affinity. Antimicrob Agents Chemother 53:765-71 (2009) [PubMed]  Article 
Target
Name:
Major prion protein
Synonyms:
PRIO_MOUSE | Prion protein | Prn-p | Prnp | Prp
Type:
PROTEIN
Mol. Mass.:
27989.70
Organism:
Mus musculus
Description:
ChEMBL_691098
Residue:
254
Sequence:
MANLGYWLLALFVTMWTDVGLCKKRPKPGGWNTGGSRYPGQGSPGGNRYPPQGGTWGQPHGGGWGQPHGGSWGQPHGGSWGQPHGGGWGQGGGTHNQWNKPSKPKTNLKHVAGAAAAGAVVGGLGGYMLGSAMSRPMIHFGNDWEDRYYRENMYRYPNQVYYRPVDQYSNQNNFVHDCVNITIKQHTVTTTTKGENFTETDVKMMERVVEQMCVTQYQKESQAYYDGRRSSSTVLFSSPPVILLISFLIFLIVG
  
Inhibitor
Name:
BDBM50333115
Synonyms:
CHEMBL1631205 | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C18H25N3OS
Mol. Mass.:
331.476
SMILES:
CC1CCCCN1CC(=O)Nc1sc2CCCCCc2c1C#N
Structure:
Search PDB for entries with ligand similarity: