Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M2
Ligand
BDBM624859
Substrate
n/a
Meas. Tech.
M2 Receptor Affinity Test
IC50
0.062±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:
BDBM624859
Synonyms:
US20230322745, Compound 1
Type:
Small organic molecule
Emp. Form.:
C41H46N6O6S2
Mol. Mass.:
782.971
SMILES:
CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3CCCc3c12)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wU:34.38,wD:37.45,14.14,(4.5,-4.2,;4.5,-2.66,;3.16,-1.89,;1.83,-2.66,;.5,-1.89,;-.84,-2.66,;-1.16,-4.17,;-2.69,-4.33,;-3.32,-2.92,;-4.78,-2.45,;-5.1,-.94,;-6.59,-.54,;-7.68,-1.63,;-9.16,-1.23,;-10.25,-2.32,;-9.85,-3.81,;-11.74,-1.92,;-12.83,-3.01,;-14.32,-2.61,;-14.72,-1.12,;-16.2,-.73,;-13.63,-.04,;-14.03,1.45,;-12.94,2.54,;-13.33,4.03,;-11.45,2.14,;-11.05,.65,;-12.14,-.43,;-3.96,.09,;-3.96,1.63,;-2.49,2.11,;-1.59,.86,;-2.49,-.38,;-2.17,-1.89,;5.83,-1.89,;5.83,-.35,;7.16,.42,;8.5,-.35,;8.5,-1.89,;7.16,-2.66,;9.83,.42,;11.17,-.35,;11.17,-1.89,;12.5,.42,;13.83,1.19,;13.83,-.35,;13.83,-1.89,;15.3,-2.37,;16.2,-1.12,;15.3,.12,;12.5,1.96,;13.75,2.86,;13.27,4.33,;11.73,4.33,;11.25,2.86,)|
Structure:
Search PDB for entries with ligand similarity: