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GLASS

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GPCR

Name	Muscarinic acetylcholine receptor M1
Species	Rattus norvegicus (Rat)
Gene	Chrm1
Synonym	cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS cholinergic receptor M1 muscarinic acetylcholine receptor M1 receptor M1R Chrm-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	460
Amino acid sequence	MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDSEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P08482
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL276
IUPHAR	13
DrugBank	N/A

Ligand

Name	NEOSTIGMINE
Molecular formula	C12H19N2O2+
IUPAC name	[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium
Molecular weight	223.296
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	1.5
Synonyms	Neostigminum AB00053807_28 Prostigmin Benzenaminium, 3-(((dimethylamino)carbonyl)oxy)-N,N,N-trimethyl- Spectrum2_001278 BRN 3615946 UNII-3982TWQ96G CHEMBL278020 [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium; sulfonatooxymethane Eustigmin Intrastigmina KBioSS_001541 NCGC00015730-01 NCGC00015730-09 3-{[(dimethylamino)carbonyl]oxy}-N,N,N-trimethylanilinium 59-99-4 Prestwick0_000468 AKOS005711366 Prozerin Benzenaminium, 3-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl- Spectrum_001061 CAS-114-80-7 Vagostigmine D08USJ HMS2089A22 KBio1_000198 LS-18452 NCGC00015730-04 (m-Hydroxyphenyl)trimethylammonium dimethylcarbamate Neostigmin Neostigmine omega AB00053807-26 Prestwick3_000468 Ammonium, (m-hydroxyphenyl)trimethyl-, dimethylcarbamate (ester) SPBio_001276 BRD-K18922609-004-04-1 Synstigmin CHEBI:7514 [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium DivK1c_000198 IDI1_000198 KBio2_006677 MLS-0002855 NCGC00015730-07 3-Trimethylammoniumphenyl N,N-dimethylcarbamate 3982TWQ96G NINDS_000165 AB00053807_29 Prostigmin (TN) Benzenaminium, 3-(((dimethylamino)carbonyl)oxy)-N,N,N-trimethyl- (9CI) Spectrum4_000072 BSPBio_000576 Vagostigmin CJ-00064 [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium Eustigmine Juvastigmin Lopac-N-2001 NCGC00015730-02 NCGC00021658-03 AB00053807 Prestwick1_000468 ALWKGYPQUAPLQC-UHFFFAOYSA- SBI-0050793.P004 bmse000762 STL058953 CCG-204900 ZB000412 DB01400 HSDB 3921 KBio2_001541 m-Trimethylammoniumphenyldimethylcarbamate NCGC00015730-05 (m-Hydroxyphenyl)trimethylammonium dimethylcarbamate (ester) Neostigmine [BAN] AB00053807_27 Proserine BDBM50022775 SPBio_002515 BRD-K18922609-004-14-0 Syntostigmine [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium bromide DTXSID1023360 InChI=1/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1 KBioGR_000623 MolPort-006-167-790 NCGC00015730-08 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium 51-60-5 (methyl sulfate) NINDS_000198 AC1L1I7G Prostigmine Benzenaminium, 3-(((dimethylamino)carbonyl)oxy)-N,N,N-trimethyl-(9CI) Spectrum5_001234 C07258 Vagostigmin (TN) D08261 GTPL8993 KBio1_000165 Lopac0_000816 NCGC00015730-03 NCGC00163240-01 Neostigmine (BAN) AB00053807-25 Prestwick2_000468 ALWKGYPQUAPLQC-UHFFFAOYSA-N SCHEMBL34419 BPBio1_000634 sulfonatooxymethane CCRIS 3079 ZINC1792 DivK1c_000165 IDI1_000165 KBio2_004109 MCULE-3501840981 NCGC00015730-06 114-80-7 (bromide) [ Show all ]
Inchi Key	ALWKGYPQUAPLQC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
PubChem CID	4456
ChEMBL	CHEMBL278020
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	5623.4 nM	PubChem BioAssay data set	ChEMBL
Potency	7943.3 nM	PubChem BioAssay data set	ChEMBL

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