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Name | Muscarinic acetylcholine receptor M1 |
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Species | Homo sapiens (Human) |
Gene | CHRM1 |
Synonym | cholinergic receptor cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS Chrm-1 M1 receptor [ Show all ] |
Disease | Functional bowel syndrome; Irritable bowel syndrome Glaucoma Peptic ulcer Parkinsonism; Extrapyramidal disorders secondary to neuroleptic drug therapy Visceral spasms [ Show all ] |
Length | 460 |
Amino acid sequence | MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC |
UniProt | P11229 |
Protein Data Bank | 5cxv |
GPCR-HGmod model | P11229 |
3D structure model | This structure is from PDB ID 5cxv. |
BioLiP | BL0339262, BL0339261, BL0339263 |
Therapeutic Target Database | T28893 |
ChEMBL | CHEMBL216 |
IUPHAR | 13 |
DrugBank | BE0000092 |
Name | CHEMBL252258 |
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Molecular formula | C26H32F4N4O2 |
IUPAC name | 1-[8-[(9-acetyl-9-azabicyclo[3.3.1]non-2-en-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea |
Molecular weight | 508.562 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.6 |
Synonyms | BDBM50227866 1-(8-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)methyl)-8-aza-bicyclo[3.2.1]octan-3-yl)-3-(3-fluoro-5-(trifluoromethyl)phenyl)urea |
Inchi Key | IENZWNOPOBXYDA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H32F4N4O2/c1-15(35)34-23-3-2-4-24(34)8-16(7-23)14-33-21-5-6-22(33)13-20(12-21)32-25(36)31-19-10-17(26(28,29)30)9-18(27)11-19/h7,9-11,20-24H,2-6,8,12-14H2,1H3,(H2,31,32,36) |
PubChem CID | 24936155 |
ChEMBL | CHEMBL252258 |
IUPHAR | N/A |
BindingDB | 50227866 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
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Ki | 230.0 nM | PMID18032038 | BindingDB,ChEMBL |
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