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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL179036
Molecular formula	C21H21FN2O4S
IUPAC name	2-[(3R)-3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
Molecular weight	416.467
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	SCHEMBL16558828 {3-[((R)-4-Fluoro-benzenesulfonyl)-methyl-amino]-1,2,3,4-tetrahydro-carbazol-9-yl}-acetic acid ZINC13608926 BDBM50161745 FT4 [(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid [ Show all ]
Inchi Key	CANCTKXGRVNXFP-OAHLLOKOSA-N
Inchi ID	InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
PubChem CID	25817650
ChEMBL	CHEMBL179036
IUPHAR	N/A
BindingDB	50161745
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1.2 nM	PMID15715457	BindingDB,ChEMBL
IC50	3.0 nM	PMID15715457	BindingDB,ChEMBL
IC50	3.6 nM	PMID22224640	BindingDB
Ki	0.6 nM	PMID15715457	BindingDB
Ki	0.6 nM	PMID15715457, PMID22224640	BindingDB,ChEMBL
Ki	1.5 nM	PMID21106375	BindingDB,ChEMBL
Ki	6.0 nM	PMID21106375	BindingDB

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