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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 | AF-DX 384 |
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Molecular formula | C27H38N6O2 |
IUPAC name | N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide |
Molecular weight | 478.641 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.8 |
Synonyms | AFDX-384 L003043 PDSP1_000962 [3H]AF-DX 384 5,11-dihydro-11-[[[2-[2-[(dipropylamino)methyl]-piperidin-l-yl]ethyl]amino]carbonyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one [ Show all ] |
Inchi Key | MZDYABXXPZNUCT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34) |
PubChem CID | 119357 |
ChEMBL | CHEMBL279453 |
IUPHAR | 3264, 368 |
BindingDB | 81901 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 12.0 nM | N/A | BindingDB |
Ki | 12.4 nM | Bioorg. Med. Chem. Lett., (1996) 6:7:785 | ChEMBL |
Ki | 30.9 nM | PMID1994002 | BindingDB |
Ki | 30.9 nM | PMID11354386 | ChEMBL |
Ki | 31.0 nM | PMID11354386 | BindingDB |
Ki | 31.6228 nM | PMID1994002 | IUPHAR |
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