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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 M5
Species	Rattus norvegicus (Rat)
Gene	Chrm5
Synonym	cholinergic receptor cholinergic receptor, muscarinic 5 M5 receptor M5R
Disease	N/A for non-human GPCRs
Length	531
Amino acid sequence	MEGESYNESTVNGTPVNHQALERHGLWEVITIAVVTAVVSLMTIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWVLGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLVSFILWAPAILCWQYLVGKRTVPPDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVAEAKKREPAQRTLLRSFFSCPRPSLAQRERNQASWSSSRRSTSTTGKTTQATDLSADWEKAEQVTTCSSYPSSEDEAKPTTDPVFQMVYKSEAKESPGKESNTQETKETVVNTRTENSDYDTPKYFLSPAAAHRLKSQKCVAYKFRLVVKADGTQETNNGCRKVKIMPCSFPVSKDPSTKGPDPNLSHQMTKRKRMVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTINPICYALCNRTFRKTFKLLLLCRWKKKKVEEKLYWQGNSKLP
UniProt	P08911
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	CHEMBL277
IUPHAR	17
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	1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione HY-12157 VU-0238429 CS-0003122 MFCD16618396 VU0238429-1 1-(4-METHOXYBENZYL)-5-TRIFLUOROMETHOXYISATIN B7448 DTXSID40655290 RT-017613 1160247-92-6 CHEMBL466253 J-003368 VU0238429 AKOS024457724 CTK8E8884 ML129 ZINC40875741 1-[(4-Methoxyphenyl)methyl]-5-(trifluoromethoxy)-1H-indole-2,3-dione BDBM50258656 GTPL3257 cid_42633508 KB-81463 VU0238429, solubility: >=20 mg/mL in DMSO 1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione API0008325 D03DKZ MolPort-023-276-878 [ 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
EC50	0.263 nM	PMID23562060	ChEMBL
EC50	0.263 nM	PMID23562060	BindingDB
EC50	0.2634 nM	PMID23562060	ChEMBL
EC50	4.571 nM	PMID23562060	ChEMBL
EC50	4.58 nM	PMID23562060	ChEMBL
EC50	4.6 nM	PMID23562060	BindingDB
FC	20.0 -	PMID23562060	ChEMBL

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