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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	L-888607
Molecular formula	C19H15ClFNO2S
IUPAC name	2-[(3S)-4-(4-chlorophenyl)sulfanyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
Molecular weight	375.842
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.4
Synonyms	GTPL1907 [(S)-9-(4-Chloro-phenylsulfanyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl]-acetic acid BDBM50174361 L-888,607 1H-Pyrrolo(1,2-a)indole-1-acetic acid, 9-((4-chlorophenyl)thio)-6-fluoro-2,3-dihydro-, (1S)- CS-0034796 UNII-LMX71OP17X 860033-06-3 HY-111271 2-[(1S)-9-[(4-chlorophenyl)sulfanyl]-6-fluoro-1H,2H,3H-benzo[b]pyrrolizin-1-yl]acetic acid D0QE3V ZINC6745293 AJ-56816 L 888607 CHEMBL370606 LMX71OP17X [ Show all ]
Inchi Key	GSBAVONRPNJJOH-NSHDSACASA-N
Inchi ID	InChI=1S/C19H15ClFNO2S/c20-12-1-4-14(5-2-12)25-19-15-6-3-13(21)10-16(15)22-8-7-11(18(19)22)9-17(23)24/h1-6,10-11H,7-9H2,(H,23,24)/t11-/m0/s1
PubChem CID	44403763
ChEMBL	CHEMBL370606
IUPHAR	1907
BindingDB	50174361
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.8 nM	PMID16190744	BindingDB
Ki	0.8 nM	PMID15755909, PMID16190744	IUPHAR,ChEMBL

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