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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	G-protein coupled receptor 55
Species	Homo sapiens (Human)
Gene	GPR55
Synonym	GPR55
Disease	N/A
Length	319
Amino acid sequence	MSQQNTSGDCLFDGVNELMKTLQFAVHIPTFVLGLLLNLLAIHGFSTFLKNRWPDYAATSIYMINLAVFDLLLVLSLPFKMVLSQVQSPFPSLCTLVECLYFVSMYGSVFTICFISMDRFLAIRYPLLVSHLRSPRKIFGICCTIWVLVWTGSIPIYSFHGKVEKYMCFHNMSDDTWSAKVFFPLEVFGFLLPMGIMGFCCSRSIHILLGRRDHTQDWVQQKACIYSIAASLAVFVVSFLPVHLGFFLQFLVRNSFIVECRAKQSISFFLQLSMCFSNVNCCLDVFCYYFVIKEFRMNIRAHRPSRVQLVLQDTTISRG
UniProt	Q9Y2T6
Protein Data Bank	N/A
GPCR-HGmod model	Q9Y2T6
3D structure model	This predicted structure model is from GPCR-EXP Q9Y2T6.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075322
IUPHAR	109
DrugBank	BE0005802

Ligand

Name	ethyl 5-(2,4-dichlorophenoxy)-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate
Molecular formula	C19H15Cl2N3O3
IUPAC name	ethyl 5-(2,4-dichlorophenoxy)-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate
Molecular weight	404.247
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.9
Synonyms	ZINC3049363 KS-00003B8V AKOS005095881 MolPort-002-874-571 5-(2,4-dichlorophenoxy)-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylic acid ethyl ester CHEMBL1497403 ethyl 5-[2,4-bis(chloranyl)phenoxy]-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate 6K-614S MCULE-8323242332 BDBM61038 cid_6412316 SMR000170071 5-(2,4-dichlorophenoxy)-3-(p-tolyl)-1,2,4-triazine-6-carboxylic acid ethyl ester HMS2306J15 AC1O4RW8 MLS000325937 338966-16-8 [ Show all ]
Inchi Key	BADMJSRGAJLWDW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15Cl2N3O3/c1-3-26-19(25)16-18(27-15-9-8-13(20)10-14(15)21)22-17(24-23-16)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3
PubChem CID	6412316
ChEMBL	CHEMBL1497403
IUPHAR	N/A
BindingDB	61038
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	12420.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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