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Target
Muscarinic acetylcholine receptor M5
Ligand
BDBM50534550
Substrate
n/a
Meas. Tech.
ChEMBL_1929137 (CHEMBL4432313)
Ki
2700±n/a nM
Citation
 Geanes, AR; Cho, HP; Nance, KD; McGowan, KM; Conn, PJ; Jones, CK; Meiler, J; Lindsley, CW Ligand-based virtual screen for the discovery of novel M5 inhibitor chemotypes. Bioorg Med Chem Lett 26:4487-4491 (2016) [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:
BDBM50534550
Synonyms:
CHEMBL4542697
Type:
Small organic molecule
Emp. Form.:
C13H21N3O3S2
Mol. Mass.:
331.454
SMILES:
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2
Structure:
Search PDB for entries with ligand similarity: