Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50381651
Substrate
n/a
Meas. Tech.
ChEMBL_815844 (CHEMBL2026107)
Kd
0.158±n/a nM
Citation
 Lainé, DI; Yan, H; Xie, H; Davis, RS; Dufour, J; Widdowson, KL; Palovich, MR; Wan, Z; Foley, JJ; Schmidt, DB; Hunsberger, GE; Burman, M; Bacon, AM; Webb, EF; Luttmann, MA; Salmon, M; Sarau, HM; Umbrecht, ST; Landis, PS; Peck, BJ; Busch-Petersen, J Design, synthesis and structure-activity relationship of N-substituted tropane muscarinic acetylcholine receptor antagonists. Bioorg Med Chem Lett 22:3366-9 (2012) [PubMed]  Article 
Target
Name:
Muscarinic acetylcholine receptor M3
Synonyms:
ACM3_HUMAN | CHRM3 | Cholinergic, muscarinic M3 | Muscarinic Receptors M3 | Muscarinic receptor M3 | RecName: Full=Muscarinic acetylcholine receptor M3
Type:
Enzyme
Mol. Mass.:
66151.03
Organism:
Homo sapiens (Human)
Description:
P20309
Residue:
590
Sequence:
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL
  
Inhibitor
Name:
BDBM50381651
Synonyms:
CHEMBL2023753
Type:
Small organic molecule
Emp. Form.:
C27H32N3
Mol. Mass.:
398.5625
SMILES:
C[N+]1(CCCC#N)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:12.13,TLB:0:1:12.11.29:9.8,THB:2:1:12.11.29:9.8,13:12:1:9.8,(31.05,-10.98,;32.55,-11.38,;33.31,-10.04,;32.53,-8.71,;33.29,-7.37,;34.83,-7.36,;36.36,-7.35,;33.6,-12.21,;33,-13.55,;31.82,-14.26,;32.81,-12.92,;34.65,-12.92,;35.63,-13.73,;36.4,-15.06,;37.94,-15.06,;38.33,-13.56,;38.72,-12.06,;38.71,-16.39,;37.94,-17.72,;38.72,-19.05,;40.26,-19.05,;41.02,-17.7,;40.25,-16.37,;39.42,-14.65,;40.51,-15.73,;41.99,-15.32,;42.38,-13.83,;41.28,-12.75,;39.8,-13.17,;35.36,-12.18,)|
Structure:
Search PDB for entries with ligand similarity: