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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Muscarinic acetylcholine receptor M4
Species	Rattus norvegicus (Rat)
Gene	Chrm4
Synonym	cholinergic receptor cholinergic receptor, muscarinic 4 Chrm-4 HM3 M4 receptor
Disease	N/A for non-human GPCRs
Length	478
Amino acid sequence	MXNFTPVNGSSANQSVRLVTAAHNHLETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLGCADLIIGAFSMNLYTLYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKPSIKKPPPGGASREELRNGKLEEAPPPALPPPPRPVPDKDTSNESSSGSATQNTKERPPTELSTAEATTPALPAPTLQPRTLNPASKWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPERVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
UniProt	P08485
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	CHEMBL317
IUPHAR	16
DrugBank	N/A

Ligand

Name	VU0152099
Molecular formula	C18H17N3O3S
IUPAC name	3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
Molecular weight	355.412
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.8
Synonyms	3-amino-4,6-dimethyl-N-piperonyl-thieno[2,3-b]pyridine-2-carboxamide GTPL3256 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4,6-dimethylthieno[5,4-b]pyridine-2-carboxamide AC1Q2P5R MLS002474500 3-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxamide cid_1541501 SMR001398665 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxamide 612514-42-8 HMS3843E06 VU0152099-1 3-amino-N-(2H-1,3-benzodioxol-5-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide AKOS002170228 MolPort-000-437-290 D0Y1VB STK207844 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide AC1LTW64 MCULE-6171593814 ZINC1472126 3-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine carboxamide BDBM48044 Oprea1_621562 [ Show all ]
Inchi Key	AZOGCTMOKNTHIU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H17N3O3S/c1-9-5-10(2)21-18-14(9)15(19)16(25-18)17(22)20-7-11-3-4-12-13(6-11)24-8-23-12/h3-6H,7-8,19H2,1-2H3,(H,20,22)
PubChem CID	1541501
ChEMBL	N/A
IUPHAR	3256
BindingDB	48044
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	1.42e-13 nM	N/A	BindingDB
EC50	0.000369 nM	N/A	BindingDB
EC50	0.000403 nM	N/A	BindingDB
EC50	403.0 nM	PMID18772318	IUPHAR
Ki	4.68e-14 nM	N/A	BindingDB

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