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GLASS

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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	CAY10471
Molecular formula	C21H21FN2O4S
IUPAC name	2-[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	MLS006010831 tm30089 CAY-10471 NCGC00344391-03 2-[3-(N-methyl4-fluorobenzenesulfonamido)-2,3,4,9-tetrahydro-1H-carbazol-9-yl]acetic acid CHEMBL1643768 SR-01000946745 AKOS030530960 HMS3649N22 MolPort-009-019-006 SCHEMBL16558832 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid D08KZJ KB-276015 SR-01000946745-1 CAY 10471 NCGC00344391-02 SMR004701758 844639-57-2 GTPL1905 [ Show all ]
Inchi Key	CANCTKXGRVNXFP-UHFFFAOYSA-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)
PubChem CID	11384493
ChEMBL	CHEMBL1643768
IUPHAR	1905
BindingDB	N/A
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, PMID17714552	IUPHAR
IC50	3.6 nM	PMID22224640	ChEMBL
Ki	0.6 nM	PMID15715457	IUPHAR
Ki	0.6 nM	PMID22224640	ChEMBL
Ki	6.0 nM	PMID21106375	ChEMBL

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