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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	1-(4-Bromobenzyl)indole-2,3-dione
Molecular formula	C15H10BrNO2
IUPAC name	1-[(4-bromophenyl)methyl]indole-2,3-dione
Molecular weight	316.154
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	2.8
Synonyms	1-[(4-bromophenyl)methyl]indole-2,3-dione AH-034/08903023 EN300-70451 SR-01000395993 ZINC2454837 CCG-198352 K015-0020 STK215777 1-(4-bromobenzyl)-1H-indole-2,3-dione AC1MHO09 cid_3008304 NE20417 VU0119498 1-[(4-bromophenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione 1-[(4-bromophenyl)methyl]indoline-2,3-dione AKOS000245456 EU-0067620 SR-01000395993-1 MCULE-6184534031 VU 0119498 AC1Q24VD D0JV2S SCHEMBL5430888 VU0119498-2 1-[(4-bromophenyl)methyl]benzo[d]azolidine-2,3-dione 1H-Indole-2,3-dione, 1-[(4-bromophenyl)methyl]- BDBM50258439 GTPL7632 ST50892639 79183-37-2 CHEMBL523685 MolPort-002-341-984 VU-0119498 1-(4-bromobenzyl)indoline-2,3-dione [ Show all ]
Inchi Key	DELLOEULSHGYCG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2
PubChem CID	3008304
ChEMBL	CHEMBL523685
IUPHAR	7632
BindingDB	50258439
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	82.4 %	PMID19438238	ChEMBL
EC50	6040.0 nM	, PMID19438238	BindingDB,ChEMBL
EC50	6100.0 nM	PMID20004578	BindingDB,ChEMBL

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