Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M2
Ligand
BDBM624962
Substrate
n/a
Meas. Tech.
M2 Receptor Affinity Test
IC50
0.588±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:
BDBM624962
Synonyms:
US20230322745, Compound 35
Type:
Small organic molecule
Emp. Form.:
C40H44N6O8S2
Mol. Mass.:
800.943
SMILES:
CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3OCOc3c12)C1CC[C@@H](CC1)OC(=O)[C@@](O)(c1cccs1)c1ccc(C)s1 |r,wU:43.50,wD:14.14,37.45,43.49,(3.77,1.47,;4.17,2.96,;3.08,4.04,;1.59,3.65,;.5,4.73,;-.98,4.34,;-1.61,2.93,;-3.14,3.09,;-3.46,4.6,;-4.8,5.37,;-4.8,6.91,;-6.13,7.68,;-7.46,6.91,;-8.8,7.68,;-10.13,6.91,;-10.13,5.37,;-11.46,7.68,;-12.8,6.91,;-14.13,7.68,;-14.13,9.22,;-15.46,9.99,;-12.8,9.99,;-12.8,11.53,;-11.46,12.3,;-11.46,13.84,;-10.13,11.53,;-10.13,9.99,;-11.46,9.22,;-3.46,7.68,;-3.14,9.18,;-1.61,9.34,;-.98,7.94,;-2.13,6.91,;-2.13,5.37,;5.66,3.35,;6.06,4.84,;7.54,5.24,;8.63,4.15,;8.23,2.66,;6.75,2.26,;10.12,4.55,;10.52,6.04,;9.43,7.13,;12.01,6.44,;13.49,6.83,;12.4,7.92,;11.44,9.12,;12.27,10.41,;13.76,10.01,;13.84,8.47,;13.09,5.35,;14.56,5.82,;15.46,4.58,;14.56,3.33,;15.04,1.87,;13.09,3.81,)|
Structure:
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