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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL302604
Molecular formula	C24H31N7O3
IUPAC name	4-amino-N-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethyl]butanamide
Molecular weight	465.558
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	-1.2
Synonyms	BDBM50012342 4-Amino-N-(2-{4-[2-oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-yl}-ethyl)-butyramide 5,11-Dihydro-11-[4-[2-(N-[4-amino-1-oxobutyl]amino)ethyl]piperazinoacetyl-1-pyrido[1,2-b]benz[1,4]diazepin-6-one AC1LBU0L 4-amino-N-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethyl]butanamide 5,11-Dihydro-11-[[4-[2-(4-aminobutyrylamino)ethyl]-1-piperazinyl]acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one AINOAUBSOCDMCN-UHFFFAOYSA-N 4-Amino-N-(2-(4-[2-oxo-2-(6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]-1-piperazinyl)ethyl)butanamide # 5,11-Dihydro-11-[4-[2-(N-[4-amino-1-oxobutyl]amino)ethyl]-1-[4-piperazin-1-yl(acetyl)]pyrido[2,3-b][1,4]benzodiazepin-6-one [ Show all ]
Inchi Key	AINOAUBSOCDMCN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H31N7O3/c25-9-3-8-21(32)26-11-12-29-13-15-30(16-14-29)17-22(33)31-20-7-2-1-5-18(20)24(34)28-19-6-4-10-27-23(19)31/h1-2,4-7,10H,3,8-9,11-17,25H2,(H,26,32)(H,28,34)
PubChem CID	542182
ChEMBL	CHEMBL302604
IUPHAR	N/A
BindingDB	50012342
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	9530.0 nM	PMID2066986	BindingDB
Ki	9530.0 nM	PMID2066986	ChEMBL

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