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Name | Muscarinic acetylcholine receptor M2 |
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Species | Homo sapiens (Human) |
Gene | CHRM2 |
Synonym | cholinergic receptor AChR M2 M2 muscarinic acetylcholine receptor M2 receptor Chrm-2 [ Show all ] |
Disease | Urinary incontinence Heart failure Nausea; Addiction Parkinson's disease Peptic ulcer [ Show all ] |
Length | 466 |
Amino acid sequence | MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQDPVSPSLVQGRIVKPNNNNMPSSDDGLEHNKIQNGKAPRDPVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENSKQTCIRIGTKTPKSDSCTPTNTTVEVVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR |
UniProt | P08172 |
Protein Data Bank | 5zkc, 4mqs, 4mqt, 5yc8, 5zk3, 5zkb, 5zk8 |
GPCR-HGmod model | P08172 |
3D structure model | This structure is from PDB ID 5zkc. |
BioLiP | BL0433341, BL0433216, BL0263147, BL0263146, BL0263145, BL0433339, BL0433340, BL0433338 |
Therapeutic Target Database | T46185 |
ChEMBL | CHEMBL211 |
IUPHAR | 14 |
DrugBank | BE0000560 |
Name | CHEMBL2111540 |
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Molecular formula | C25H31N3O2S |
IUPAC name | 2-(4-cyclohexylpiperazin-1-yl)-2-[4-[(S)-(4-methoxyphenyl)sulfinyl]phenyl]acetonitrile |
Molecular weight | 437.602 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 4.1 |
Synonyms | BDBM50451110 SCHEMBL16181622 |
Inchi Key | BFELQLHLUNQIHL-KHTLXAHUSA-N |
Inchi ID | InChI=1S/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/m0/s1 |
PubChem CID | 9889312 |
ChEMBL | CHEMBL2111540 |
IUPHAR | N/A |
BindingDB | 50451110 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 2.7 nM | PMID11055332 | BindingDB,ChEMBL |
Ki | 2.78 nM | PMID11012031 | ChEMBL |
Ki | 2.8 nM | PMID11012031 | BindingDB |
Ki | 3.8 nM | PMID11055332 | BindingDB,ChEMBL |
Ki | 9.0 nM | PMID11055332 | BindingDB,ChEMBL |
Ki | 17.0 nM | PMID11055332 | BindingDB,ChEMBL |
Ki | 20.0 nM | PMID11055332 | BindingDB,ChEMBL |
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