Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M2
Ligand
BDBM50103084
Substrate
n/a
Meas. Tech.
ChEBML_138180
Ki
>40±n/a nM
Citation
 Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Piperazine-based CCR5 antagonists as HIV-1 inhibitors. I: 2(S)-methyl piperazine as a key pharmacophore element. Bioorg Med Chem Lett 11:2143-6 (2001) [PubMed]  Article 
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:
Human
Description:
P08172
Residue:
466
Sequence:
MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQDPVSPSLVQGRIVKPNNNNMPSSDDGLEHNKIQNGKAPRDPVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENSKQTCIRIGTKTPKSDSCTPTNTTVEVVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
  
Inhibitor
Name:
BDBM50103084
Synonyms:
CHEMBL66623 | {4-[(S)-4-(4-Benzo[1,3]dioxol-5-ylmethyl-benzyl)-3-methyl-piperazin-1-yl]-piperidin-1-yl}-(2,6-dimethyl-phenyl)-methanone
Type:
Small organic molecule
Emp. Form.:
C34H41N3O3
Mol. Mass.:
539.7076
SMILES:
C[C@H]1CN(CCN1Cc1ccc(Cc2ccc3OCOc3c2)cc1)C1CCN(CC1)C(=O)c1c(C)cccc1C
Structure:
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