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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL68771
Molecular formula	C20H24N6O2
IUPAC name	11-[2-[4-(2-aminoethyl)piperazin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight	380.452
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	-0.8
Synonyms	5,11-Dihydro-11-[[4-(2-aminoethyl)-1-piperazinyl]acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one 11-(2-(4-(2-aminoethyl)piperazin-1-yl)acetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one AC1LD2UL MLS001060775 11-{2-[4-(2-Amino-ethyl)-piperazin-1-yl]-acetyl}-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one CHEBI:93228 HMS2214G07 SCHEMBL3667666 11-([4-(2-Aminoethyl)-1-piperazinyl]acetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one # BDBM50012339 5,11-Dihydro-11-[(4-[2-aminoethyl]-1-piperazinyl)acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[[4-(2-aminoethyl)-1-piperazinyl]acetyl]-5,11-dihydro- HMS3340F04 SMR000486248 11-[2-[4-(2-aminoethyl)piperazin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one BGBFZLZJWJZOCZ-UHFFFAOYSA-N [ Show all ]
Inchi Key	BGBFZLZJWJZOCZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24N6O2/c21-7-9-24-10-12-25(13-11-24)14-18(27)26-17-6-2-1-4-15(17)20(28)23-16-5-3-8-22-19(16)26/h1-6,8H,7,9-14,21H2,(H,23,28)
PubChem CID	611101
ChEMBL	CHEMBL68771
IUPHAR	N/A
BindingDB	50012339
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	2840.0 nM	PMID2066986	BindingDB,ChEMBL

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