Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M2
Ligand
BDBM50103091
Substrate
n/a
Meas. Tech.
ChEBML_138180
Ki
31±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:
Homo sapiens (Human)
Description:
P08172
Residue:
466
Sequence:
MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQDPVSPSLVQGRIVKPNNNNMPSSDDGLEHNKIQNGKAPRDPVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENSKQTCIRIGTKTPKSDSCTPTNTTVEVVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
  
Inhibitor
Name:
BDBM50103091
Synonyms:
(4-{4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-benzyl]-piperazin-1-yl}-piperidin-1-yl)-(2,6-dimethyl-phenyl)-methanone | CHEMBL67172
Type:
Small organic molecule
Emp. Form.:
C32H37N3O5S
Mol. Mass.:
575.718
SMILES:
Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCN(Cc2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)CC1
Structure:
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