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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	MLS000333702
Molecular formula	C18H13FN2OS
IUPAC name	4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
Molecular weight	324.373
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.9
Synonyms	4-(4-Fluoro-benzylsulfanyl)-2-methyl-benzo[4,5]furo[3,2-d]pyrimidine AKOS022124308 MolPort-002-619-711 4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine CHEMBL1339257 ZINC5217310 848064-47-1 MCULE-2104777438 4-[(4-fluorobenzyl)sulfanyl]-2-methyl[1]benzofuro[3,2-d]pyrimidine BDBM61100 SMR000437813 4-[(4-fluorophenyl)methylthio]-2-methylbenzofuro[3,2-d]pyrimidine cid_3458131 AC1MQVBT 4-[(4-fluorobenzyl)thio]-2-methyl-benzofuro[3,2-d]pyrimidine STL345376 HMS2805L04 [ Show all ]
Inchi Key	BXYNVRSBWLAKGL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H13FN2OS/c1-11-20-16-14-4-2-3-5-15(14)22-17(16)18(21-11)23-10-12-6-8-13(19)9-7-12/h2-9H,10H2,1H3
PubChem CID	3458131
ChEMBL	CHEMBL1339257
IUPHAR	N/A
BindingDB	61100
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	<32000.0 nM	PubChem BioAssay data set	ChEMBL
EC50	32000.0 nM	N/A	BindingDB

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