Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M2
Ligand
BDBM624956
Substrate
n/a
Meas. Tech.
M2 Receptor Affinity Test
IC50
0.083±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:
BDBM624956
Synonyms:
US20230322745, Compound 28
Type:
Small organic molecule
Emp. Form.:
C41H45ClN6O6S2
Mol. Mass.:
817.416
SMILES:
CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3CCCc3c12)C1CC[C@@H](CC1)OC(=O)[C@](O)(c1cccs1)c1ccc(Cl)s1 |r,wU:37.45,43.49,wD:14.14,43.50,(3.77,3.25,;4.17,4.74,;3.08,5.83,;1.59,5.43,;.5,6.52,;-.98,6.12,;-1.61,4.72,;-3.14,4.88,;-3.46,6.38,;-4.8,7.15,;-4.8,8.69,;-6.13,9.46,;-7.46,8.69,;-8.8,9.46,;-10.13,8.69,;-10.13,7.15,;-11.46,9.46,;-12.8,8.69,;-14.13,9.46,;-14.13,11,;-15.46,11.77,;-12.8,11.77,;-12.8,13.31,;-11.46,14.08,;-11.46,15.62,;-10.13,13.31,;-10.13,11.77,;-11.46,11,;-3.46,9.46,;-3.14,10.97,;-1.61,11.13,;-.98,9.72,;-2.13,8.69,;-2.13,7.15,;5.66,5.14,;6.75,4.05,;8.23,4.45,;8.63,5.94,;7.54,7.03,;6.06,6.63,;10.12,6.34,;10.52,7.82,;9.43,8.91,;12.01,8.22,;13.49,8.62,;12.4,9.71,;11.44,10.91,;12.27,12.2,;13.76,11.8,;13.84,10.26,;13.09,7.13,;14.56,7.61,;15.46,6.36,;14.56,5.12,;15.04,3.65,;13.09,5.59,)|
Structure:
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