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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 | CHEMBL495531 |
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Molecular formula | C23H23BrF2N2O2 |
IUPAC name | 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione |
Molecular weight | 477.35 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | (-)-1''-(4-bromobenzyl)-3-(2,4-difluorophenyl)-3,4''-bipiperidine-2,6-dione (+)-1''-(4-bromobenzyl)-3-(2,4-difluorophenyl)-3,4''-bipiperidine-2,6-dione (+/-)-1''-(4-bromobenzyl)-3-(2,4-difluorophenyl)-3,4''-bipiperidine-2,6-dione BDBM50292637 SCHEMBL13963016 |
Inchi Key | BJFMBQBPMWUGFF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H23BrF2N2O2/c24-17-3-1-15(2-4-17)14-28-11-8-16(9-12-28)23(10-7-21(29)27-22(23)30)19-6-5-18(25)13-20(19)26/h1-6,13,16H,7-12,14H2,(H,27,29,30) |
PubChem CID | 44593651 |
ChEMBL | CHEMBL495531 |
IUPHAR | N/A |
BindingDB | 50292637 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <10000.0 nM | PMID18922694 | BindingDB,ChEMBL |
IC50 | >1.0 nM | PMID18922694 | ChEMBL |
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