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GPCR

Name	Muscarinic acetylcholine receptor M3
Species	Rattus norvegicus (Rat)
Gene	Chrm3
Synonym	M3R M3 receptor HM4 Chrm-3 cholinergic receptor, muscarinic 3, cardiac cholinergic receptor, muscarinic 3 cholinergic receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	589
Amino acid sequence	MTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVTQLGSYNISQETGNFSSNDTSSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGVKRSSRRKYGRCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSSILNSTKLPSSDNLQVSNEDLGTVDVERNAHKLQAQKSMGDGDNCQKDFTKLPIQLESAVDTGKTSDTNSSADKTTATLPLSFKEATLAKRFALKTRSQITKRKRMSLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKTLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
UniProt	P08483
Protein Data Bank	4daj, 4u14, 4u15, 4u16, 5zhp
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4daj.
BioLiP	BL0433837, BL0433838,BL0433839, BL0300355,BL0300356, BL0300353,BL0300354, BL0223908,BL0223909,BL0223910,, BL0300352
Therapeutic Target Database	N/A
ChEMBL	CHEMBL320
IUPHAR	15
DrugBank	N/A

Ligand

Name	AQ-RA 741
Molecular formula	C27H37N5O2
IUPAC name	11-[2-[4-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight	463.626
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.1
Synonyms	11-[[4-[4-(DIETHYLAMINO)BUTYL]-1-PIPERIDINYL]ACETYL]-5,11-DIHYDRO-6H-PYRIDO[2,3-B][1,4]BENZODIAZEPIN-6-ONE AJ-45632 BN0714 CTK4B3549 MolPort-003-983-884 PDSP1_000964 11-(2-(4-(4-(Diethylamino)butyl)piperidin-1-yl)acetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11-[2-[4-[4-(diethylamino)butyl]-1-piperidinyl]acetyl]-5,11-dihydro- AQ-RA-741 CAS_129989 FT-0713599 SCHEMBL7550095 11-[2-[4-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one AC1L2WKT BCUGCHZRMKTPMU-UHFFFAOYSA-N J-004950 123548-16-3 AKOS022180221 BRD-K81729199-001-01-0 D0VZ3D NCGC00092359-01 PDSP2_000948 11-(2-(4-(4-(Diethylamino)butyl)piperidin-1-yl)acetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one11-(2-(4-(4-(Diethylamino)butyl)piperidin-1-yl)acetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one AQ-RA-741BS CC-03736 GTPL8584 ZINC3794612 11-[[4-[4-(Diethylamino)butyl]-1-piperidinyl]acetyl]- 5,11-dihydro-6H-pyrido [2,3-b][1,4]benzodiazepin-6- one ACMC-20ej93 BDBM81900 CHEMBL43383 KB-270783 NSC_129989 11-((4-(4-(Diethylamino)butyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-((4-(4-(diethylamino)butyl)-1-piperidinyl)acetyl)-5,11-dihydro- C-35501 DTXSID60154038 RT-011305 11-[2-[4-(4-diethylaminobutyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one B7003 CHEBI:93432 HMS3268J04 [ Show all ]
Inchi Key	BCUGCHZRMKTPMU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H37N5O2/c1-3-30(4-2)17-8-7-10-21-14-18-31(19-15-21)20-25(33)32-24-13-6-5-11-22(24)27(34)29-23-12-9-16-28-26(23)32/h5-6,9,11-13,16,21H,3-4,7-8,10,14-15,17-20H2,1-2H3,(H,29,34)
PubChem CID	129989
ChEMBL	CHEMBL43383
IUPHAR	8584
BindingDB	81900
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	158.49 nM	PMID8246244	BindingDB,ChEMBL
Ki	251.19 nM	PMID7932564	ChEMBL

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