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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	MLS000540783
Molecular formula	C28H24N4O4S
IUPAC name	2-(2,4-dimethylphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide
Molecular weight	512.584
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.1
Synonyms	2-(2,4-dimethylphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]-4-quinolinecarboxamide MolPort-001-545-854 2-(2,4-dimethylphenyl)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}quinoline-4-carboxamide HMS2303D07 ST50926018 2-(2,4-dimethylphenyl)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)-4-quinolinecarboxamide AKOS003274600 MLS-0101594.0002 [2-(2,4-dimethylphenyl)(4-quinolyl)]-N-(4-{[(5-methylisoxazol-3-yl)amino]sulfo nyl}phenyl)carboxamide 2-(2,4-dimethylphenyl)-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]cinchoninamide CHEMBL1586706 Oprea1_330379 MCULE-3600885538 STK332899 2-(2,4-dimethylphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide BDBM45519 2-(2,4-dimethylphenyl)-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide cid_1011349 SMR000162174 AC1LK3XH MLS-0101594.0001 ZINC671945 [ Show all ]
Inchi Key	COFXHMAGNCARMW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H24N4O4S/c1-17-8-13-22(18(2)14-17)26-16-24(23-6-4-5-7-25(23)30-26)28(33)29-20-9-11-21(12-10-20)37(34,35)32-27-15-19(3)36-31-27/h4-16H,1-3H3,(H,29,33)(H,31,32)
PubChem CID	1011349
ChEMBL	CHEMBL1586706
IUPHAR	N/A
BindingDB	45519
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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