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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	aceclidine
Molecular formula	C9H15NO2
IUPAC name	1-azabicyclo[2.2.2]octan-3-yl acetate
Molecular weight	169.224
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.7
Synonyms	LS-143215 1-Azabicyclo[2.2.2]octan-3-ol, acetate (ester) NINDS_000180 SCHEMBL121393 Aceclidina Tox21_110921 Aceclidinum [INN-Latin] AL 304 CAS-827-61-2 DS-5025 Glaucadrine KBio2_001818 (RS) 3-acetoxy quinuclidine NCGC00024733-02 3-Acetoxyquinuclidine NSC-758239 827A612 Spectrum3_001446 Aceclidine (USAN/INN) acetic acid 1-azabicyclo[2.2.2]octan-3-yl ester BDBM50034625 DSSTox_RID_81035 HMS3264B20 KBio3_002411 1-Azabicyclo(2.2.2)octan-3-ol, acetate 1-Azabicyclo[2.2.2]oct-3-yl acetate # NCI60_020173 3-Quinuclidinol, acetate Pharmakon1600-01501124 AC1L1CNK Spectrum_001338 aceclidine,S(+) AK111028 BRD-A80567352-003-01-6 D02750 FCH835516 KB-80304 KS-00000M46 MCULE-4689367855 1-azabicyclo[2.2.2]octan-3-yl acetate NSC 657843 72353-53-8 SPBio_001110 Aceclidina [INN-Spanish] WRJPSSPFHGNBMG-UHFFFAOYSA-N Acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester AN-25626 CCG-212926 DSSTox_CID_25658 Glaucostat KBio2_004386 (RS)-3-acetoxyquinuclidine 1-Azabicyclo(2.2.2)octan-3-ol, acetate (ester) NCGC00024733-03 3-Quinuclidinol acetate NSC657843 AB00053601_02 Spectrum4_000421 Aceclidine [USAN:INN] acetic acid quinuclidin-3-yl ester BRD-A32673558-001-01-7 CHEMBL20835 DTXSID2045658 I14-6971 KBioGR_000742 1-Azabicyclo[2.2.2]octan-3-ol, acetate NCI60_020184 3-Quinuclidinol, acetate (ester) Quinuclidin-3-yl acetate aceclidin STL430459 Aceclidinum AKOS006281409 BSPBio_002911 DivK1c_000180 FT-0607358 KBio1_000180 (+) 3-acetoxy quinuclidine L023942 MolPort-001-783-614 2787AC NSC-657843 827-61-2 Spectrum2_001235 Acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester(aceclidine) AX8056501 CHEBI:93847 DSSTox_GSID_45658 Glaucostat (TN) KBio2_006954 1-Azabicyclo[2.2.2]oct-3-yl acetate NCGC00024733-04 3-Quinuclidinol acetate (ester) NSC758239 AB00053601_03 Spectrum5_001301 aceclidine,R(-) ACN-052914 BRD-A32673558-003-02-1 CS-B0278 EINECS 212-574-1 IDI1_000180 KBioSS_001818 [ Show all ]
Inchi Key	WRJPSSPFHGNBMG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3
PubChem CID	1979
ChEMBL	CHEMBL20835
IUPHAR	N/A
BindingDB	50034625
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	120.0 nM	PMID9464368	BindingDB,ChEMBL
IC50	2427.0 nM	PMID9464368	BindingDB,ChEMBL
Max	60.5 %	PMID9464368	ChEMBL

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