Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M5
Ligand
BDBM50403547
Substrate
n/a
Meas. Tech.
ChEMBL_1457838 (CHEMBL3370316)
Ki
1.5±n/a nM
Citation
 Gentry, PR; Kokubo, M; Bridges, TM; Noetzel, MJ; Cho, HP; Lamsal, A; Smith, E; Chase, P; Hodder, PS; Niswender, CM; Daniels, JS; Conn, PJ; Lindsley, CW; Wood, MR Development of a highly potent, novel M5 positive allosteric modulator (PAM) demonstrating CNS exposure: 1-((1H-indazol-5-yl)sulfoneyl)-N-ethyl-N-(2-(trifluoromethyl)benzyl)piperidine-4-carboxamide (ML380). J Med Chem 57:7804-10 (2014) [PubMed]  Article 
Target
Name:
Muscarinic acetylcholine receptor M5
Synonyms:
ACM5_HUMAN | CHRM5
Type:
PROTEIN
Mol. Mass.:
60102.35
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1517990
Residue:
532
Sequence:
MEGDSYHNATTVNGTPVNHQPLERHRLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVTKAEKRKPAHRALFRSCLRCPRPTLAQRERNQASWSSSRRSTSTTGKPSQATGPSANWAKAEQLTTCSSYPSSEDEDKPATDPVLQVVYKSQGKESPGEEFSAEETEETFVKAETEKSDYDTPNYLLSPAAAHRPKSQKCVAYKFRLVVKADGNQETNNGCHKVKIMPCPFPVAKEPSTKGLNPNPSHQMTKRKRVVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTVNPICYALCNRTFRKTFKMLLLCRWKKKKVEEKLYWQGNSKLP
  
Inhibitor
Name:
BDBM50403547
Synonyms:
ATROPEN | ATROPINE
Type:
Small organic molecule
Emp. Form.:
C17H23NO3
Mol. Mass.:
289.3694
SMILES:
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Structure:
Search PDB for entries with ligand similarity: