Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M2
Ligand
BDBM624959
Substrate
n/a
Meas. Tech.
M2 Receptor Affinity Test
IC50
0.814±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:
BDBM624959
Synonyms:
US20230322745, Compound 32
Type:
Small organic molecule
Emp. Form.:
C44H52N6O5S2
Mol. Mass.:
809.051
SMILES:
CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3CCCc3c12)[C@H]1CC[C@H](CC(=O)C(O)(c2ccc(C)s2)c2ccc(C)s2)CC1 |r,wU:34.38,wD:14.14,37.42,(4.51,-4.78,;4.51,-3.24,;3.17,-2.47,;1.84,-3.24,;.5,-2.47,;-.83,-3.24,;-1.07,-4.76,;-2.59,-5,;-3.29,-3.63,;-4.78,-3.23,;-5.18,-1.74,;-6.66,-1.34,;-7.75,-2.43,;-9.24,-2.03,;-10.33,-3.12,;-9.93,-4.61,;-11.82,-2.72,;-12.91,-3.81,;-14.39,-3.41,;-14.79,-1.93,;-16.28,-1.53,;-13.7,-.84,;-14.1,.65,;-13.01,1.74,;-13.41,3.23,;-11.52,1.34,;-11.13,-.15,;-12.22,-1.24,;-4.09,-.65,;-4.17,.89,;-2.73,1.44,;-1.76,.24,;-2.6,-1.05,;-2.2,-2.54,;5.84,-2.47,;5.84,-.93,;7.17,-.16,;8.51,-.93,;9.84,-.16,;11.17,-.93,;11.17,-2.47,;12.51,-.16,;13.84,.61,;13.84,-.93,;15.25,-.3,;16.28,-1.44,;15.51,-2.78,;16.14,-4.19,;14,-2.46,;12.51,1.38,;11.26,2.29,;11.74,3.75,;13.28,3.75,;14.18,5,;13.75,2.29,;8.51,-2.47,;7.17,-3.24,)|
Structure:
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