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Name | Muscarinic acetylcholine receptor M4 |
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Species | Homo sapiens (Human) |
Gene | CHRM4 |
Synonym | HM3 M4 receptor cholinergic receptor Chrm-4 cholinergic receptor, muscarinic 4 |
Disease | Produce mydriasis and cycloplegia for diagnostic purposes Hypertension Irritable bowel syndrome Moderate and severe psychomotor agitation Mydriasis diagnosis [ Show all ] |
Length | 479 |
Amino acid sequence | MANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKQSVKKPPPGEAAREELRNGKLEEAPPPALPPPPRPVADKDTSNESSSGSATQNTKERPATELSTTEATTPAMPAPPLQPRALNPASRWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPDTVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR |
UniProt | P08173 |
Protein Data Bank | 5dsg |
GPCR-HGmod model | P08173 |
3D structure model | This structure is from PDB ID 5dsg. |
BioLiP | BL0339919,BL0339921, BL0339920 |
Therapeutic Target Database | T20709, T50918 |
ChEMBL | CHEMBL1821 |
IUPHAR | 16 |
DrugBank | BE0000405 |
Name | CHEMBL378872 |
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Molecular formula | C37H41Cl3N4O4 |
IUPAC name | (2R)-1-[(2S,4R)-4-hydroxy-1-[3,3,3-tris(4-chlorophenyl)propanoyl]pyrrolidine-2-carbonyl]-N-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide |
Molecular weight | 712.109 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 5.9 |
Synonyms | BDBM50194654 SCHEMBL4577924 (2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-chlorophenyl)propanoyl]pyrrolidine-2-yl)carbonyl-N-(4-piperidinylmethyl)pyrrolidine-2-carboxamide |
Inchi Key | BHAUVKSALKMKRU-SLGZMBILSA-N |
Inchi ID | InChI=1S/C37H41Cl3N4O4/c38-28-9-3-25(4-10-28)37(26-5-11-29(39)12-6-26,27-7-13-30(40)14-8-27)21-34(46)44-23-31(45)20-33(44)36(48)43-19-1-2-32(43)35(47)42-22-24-15-17-41-18-16-24/h3-14,24,31-33,41,45H,1-2,15-23H2,(H,42,47)/t31-,32-,33+/m1/s1 |
PubChem CID | 16086066 |
ChEMBL | CHEMBL378872 |
IUPHAR | N/A |
BindingDB | 50194654 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 53.0 nM | PMID16970392 | BindingDB,ChEMBL |
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