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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 | CHEMBL1624037 |
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Molecular formula | C18H27N3O3 |
IUPAC name | ethyl 4-[2-[(2-methylbenzoyl)amino]ethylamino]piperidine-1-carboxylate |
Molecular weight | 333.432 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 2.0 |
Synonyms | ethyl 4-[2-[(2-methylbenzoyl)amino]ethylamino]piperidine-1-carboxylate;hydrochloride 4-[2-(o-toluoylamino)ethylamino]piperidine-1-carboxylic acid ethyl ester;hydrochloride NCGC00386615-02 BDBM43822 cid_25010775 [ Show all ] |
Inchi Key | ZBSSIYGXZQZYDM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22) |
PubChem CID | 25010776 |
ChEMBL | CHEMBL1624037 |
IUPHAR | N/A |
BindingDB | 43822 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 34.0 % | PMID22507963 | ChEMBL |
Activity | 35.0 % | PMID22507963 | ChEMBL |
EC50 | 2300.0 nM | PMID21930376 | BindingDB,ChEMBL |
EC50 | 2600.0 nM | PMID22507963 | BindingDB,ChEMBL |
EC50 | 1600000.0 nM | PMID22507963 | BindingDB,ChEMBL |
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