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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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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	VU 0238429
Molecular formula	C17H12F3NO4
IUPAC name	1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
Molecular weight	351.281
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.5
Synonyms	CTK8E8884 ML129 ZINC40875741 AKOS024457724 GTPL3257 1-[(4-Methoxyphenyl)methyl]-5-(trifluoromethoxy)-1H-indole-2,3-dione BDBM50258656 cid_42633508 KB-81463 VU0238429, solubility: >=20 mg/mL in DMSO D03DKZ MolPort-023-276-878 1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione API0008325 HY-12157 VU-0238429 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione CS-0003122 MFCD16618396 VU0238429-1 DTXSID40655290 RT-017613 1-(4-METHOXYBENZYL)-5-TRIFLUOROMETHOXYISATIN B7448 CHEMBL466253 J-003368 VU0238429 1160247-92-6 [ Show all ]
Inchi Key	CKLGZXFOLMHCMC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
PubChem CID	42633508
ChEMBL	CHEMBL466253
IUPHAR	3257
BindingDB	50258656
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
%max	12.69 %	PMID19438238	ChEMBL
Activity	30.0 %	PMID20004578	ChEMBL
EC50	<30000.0 nM	PMID19438238	BindingDB,ChEMBL
EC50	62600.0 nM	N/A	BindingDB

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