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Target
Muscarinic acetylcholine receptor M5
Ligand
BDBM50024562
Substrate
n/a
Meas. Tech.
ChEMBL_1437330 (CHEMBL3385425)
EC50
400±n/a nM
Citation
 Lindsley, CW 2013 Philip S. Portoghese Medicinal Chemistry Lectureship: drug discovery targeting allosteric sites. J Med Chem 57:7485-98 (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:
BDBM50024562
Synonyms:
CHEMBL2431187
Type:
Small organic molecule
Emp. Form.:
C18H15FN2O2
Mol. Mass.:
310.3223
SMILES:
O[C@H]1C[C@@H](C1)NC(=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r,wU:1.0,wD:3.5,(42.58,-27.98,;41.21,-28.69,;40.69,-30.14,;39.24,-29.61,;39.76,-28.17,;37.97,-30.49,;36.64,-29.72,;36.63,-28.18,;35.3,-30.5,;33.97,-29.73,;32.64,-30.5,;32.64,-32.05,;33.97,-32.82,;35.31,-32.05,;31.3,-32.82,;29.97,-33.59,;28.64,-34.36,;28.64,-35.89,;27.31,-36.66,;25.97,-35.89,;25.97,-34.35,;24.64,-33.58,;27.3,-33.58,)|
Structure:
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