Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M2
Ligand
BDBM624965
Substrate
n/a
Meas. Tech.
M2 Receptor Affinity Test
IC50
0.842±n/a nM
Citation
 ZHANG, P; LUO, Y; GAO, F; CHEN, S FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF US Patent  US20230322745 Publication Date 10/12/2023 
Target
Name:
Muscarinic acetylcholine receptor M2
Synonyms:
ACM2_HUMAN | CHRM2 | Cholinergic, muscarinic M2 | Muscarinic acetylcholine receptor M2 and M4 | Muscarinic acetylcholine receptor M2 and M5 | RecName: Full=Muscarinic acetylcholine receptor M2
Type:
GPCR
Mol. Mass.:
51730.61
Organism:
Homo sapiens (Human)
Description:
P08172
Residue:
466
Sequence:
MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQDPVSPSLVQGRIVKPNNNNMPSSDDGLEHNKIQNGKAPRDPVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENSKQTCIRIGTKTPKSDSCTPTNTTVEVVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
  
Inhibitor
Name:
BDBM624965
Synonyms:
US20230322745, Compound 38
Type:
Small organic molecule
Emp. Form.:
C43H49N5O6S2
Mol. Mass.:
796.009
SMILES:
CN(CCCn1cnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3CCCc3c12)C1CC[C@@H](CC1)OC(=O)[C@](O)(c1cccs1)c1ccc(C)s1 |r,wU:43.49,wD:14.14,37.45,43.50,(3.77,1.68,;4.17,3.17,;3.08,4.26,;1.59,3.86,;.5,4.95,;-.98,4.55,;-1.61,3.15,;-3.14,3.31,;-3.46,4.81,;-4.8,5.58,;-4.8,7.12,;-6.13,7.89,;-7.46,7.12,;-8.8,7.89,;-10.13,7.12,;-10.13,5.58,;-11.46,7.89,;-12.8,7.12,;-14.13,7.89,;-14.13,9.43,;-15.46,10.2,;-12.8,10.2,;-12.8,11.74,;-11.46,12.51,;-11.46,14.05,;-10.13,11.74,;-10.13,10.2,;-11.46,9.43,;-3.46,7.89,;-3.14,9.4,;-1.61,9.56,;-.98,8.15,;-2.13,7.12,;-2.13,5.58,;5.66,3.57,;6.06,5.06,;7.54,5.46,;8.63,4.37,;8.23,2.88,;6.75,2.48,;10.12,4.77,;10.52,6.25,;9.43,7.34,;12.01,6.65,;13.49,7.05,;12.4,8.14,;11.44,9.34,;12.27,10.63,;13.76,10.23,;13.84,8.69,;13.09,5.56,;14.56,6.04,;15.46,4.79,;14.56,3.55,;15.04,2.08,;13.09,4.02,)|
Structure:
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