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Target
Muscarinic acetylcholine receptor M5
Ligand
BDBM50024542
Substrate
n/a
Meas. Tech.
ChEMBL_1436682 (CHEMBL3384758)
EC50
33±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:
BDBM50024542
Synonyms:
CHEMBL3334991
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,wD:3.5,1.0,(35.3,-13.38,;33.97,-14.16,;32.48,-13.77,;32.09,-15.25,;33.58,-15.65,;30.76,-16.03,;29.43,-15.26,;29.42,-13.72,;28.1,-16.04,;26.76,-15.28,;25.43,-16.05,;25.43,-17.59,;26.76,-18.36,;28.1,-17.59,;24.09,-18.36,;22.76,-19.13,;21.43,-19.9,;21.43,-21.43,;20.1,-22.2,;18.76,-21.43,;18.76,-19.89,;17.43,-19.12,;20.09,-19.12,)|
Structure:
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