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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	Prostaglandin D2 receptor 2
Species	Homo sapiens (Human)
Gene	PTGDR2
Synonym	CD294 prostaglandin D2 receptor 2 PGD2 receptor Gpr44 G-protein coupled receptor 44 G protein-coupled receptor 44 DP2 receptor CRTH2 Chemoattractant receptor-homologous molecule expressed on Th2 cells [ Show all ]
Disease	Asthma; Chronic obstructive pulmonary disease Asthma Allergy Allergic rhinitis Allergic asthma Respiratory disease [ Show all ]
Length	395
Amino acid sequence	MSANATLKPLCPILEQMSRLQSHSNTSIRYIDHAAVLLHGLASLLGLVENGVILFVVGCRMRQTVVTTWVLHLALSDLLASASLPFFTYFLAVGHSWELGTTFCKLHSSIFFLNMFASGFLLSAISLDRCLQVVRPVWAQNHRTVAAAHKVCLVLWALAVLNTVPYFVFRDTISRLDGRIMCYYNVLLLNPGPDRDATCNSRQVALAVSKFLLAFLVPLAIIASSHAAVSLRLQHRGRRRPGRFVRLVAAVVAAFALCWGPYHVFSLLEARAHANPGLRPLVWRGLPFVTSLAFFNSVANPVLYVLTCPDMLRKLRRSLRTVLESVLVDDSELGGAGSSRRRRTSSTARSASPLALCSRPEEPRGPARLLGWLLGSCAASPQTGPLNRALSSTSS
UniProt	Q9Y5Y4
Protein Data Bank	6d27, 6d26
GPCR-HGmod model	Q9Y5Y4
3D structure model	This structure is from PDB ID 6d27.
BioLiP	BL0428440, BL0428439
Therapeutic Target Database	T61722
ChEMBL	CHEMBL5071
IUPHAR	339
DrugBank	BE0003561

Ligand

Name	CHEMBL1088284
Molecular formula	C25H17F3N2O2
IUPAC name	2-[2-[bis(4-fluorophenyl)methyl]-4-(3-fluorophenyl)pyrimidin-5-yl]acetic acid
Molecular weight	434.418
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.0
Synonyms	BDBM50312906 SCHEMBL1226883 2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl)pyrimidin-5-yl)acetic acid
Inchi Key	ACFQRXVIUVXHIY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H17F3N2O2/c26-19-8-4-15(5-9-19)23(16-6-10-20(27)11-7-16)25-29-14-18(13-22(31)32)24(30-25)17-2-1-3-21(28)12-17/h1-12,14,23H,13H2,(H,31,32)
PubChem CID	16222207
ChEMBL	CHEMBL1088284
IUPHAR	N/A
BindingDB	50312906
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Efficacy	<80.0 %	PMID20137942	ChEMBL
IC50	0.012 nM	PMID20137942	BindingDB
IC50	0.012 nM	PMID20137942	ChEMBL
IC50	1.9 nM	PMID20137942	BindingDB,ChEMBL

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