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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL563949
Molecular formula	C16H12F2N2O4S
IUPAC name	2-[1-(3,4-difluorophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
Molecular weight	366.339
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.6
Synonyms	SCHEMBL1940356 [1-(3,4-difluoro-benzenesulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-acetic acid BDBM50296848 HLSYGDSWXJGENX-UHFFFAOYSA-N 2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
Inchi Key	HLSYGDSWXJGENX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
PubChem CID	11667741
ChEMBL	CHEMBL563949
IUPHAR	N/A
BindingDB	50296848
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
FC	1.3 -	PMID24021582	ChEMBL
IC50	9.0 nM	PMID24021582, PMID19592244	BindingDB,ChEMBL
IC50	9.0 nM	PMID24021582	BindingDB
IC50	17.0 nM	PMID19592244	BindingDB,ChEMBL
IC50	60.0 nM	PMID24021582, PMID19592244	BindingDB,ChEMBL
IC50	150.0 nM	None	ChEMBL
Ki	31.0 nM	PMID19592244, PMID24021582	BindingDB,ChEMBL
Ki	33.0 nM	None	ChEMBL
Ratio IC50	1.3 -	PMID19592244	ChEMBL

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