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GLASS

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GPCR

Name	Prostaglandin D2 receptor
Species	Homo sapiens (Human)
Gene	PTGDR
Synonym	PGD2 receptor DP1 DP1 receptor PTGDR1 prostanoid DP receptor-like Prostanoid DP receptor prostaglandin D2 receptor (DP) PGD receptor [ Show all ]
Disease	Pain Dyslipidaemias Rhinitis Thromboembolism Thrombosis Atopic dermatitis Asthma Allergy Allergic rhinitis [ Show all ]
Length	359
Amino acid sequence	MKSPFYRCQNTTSVEKGNSAVMGGVLFSTGLLGNLLALGLLARSGLGWCSRRPLRPLPSVFYMLVCGLTVTDLLGKCLLSPVVLAAYAQNRSLRVLAPALDNSLCQAFAFFMSFFGLSSTLQLLAMALECWLSLGHPFFYRRHITLRLGALVAPVVSAFSLAFCALPFMGFGKFVQYCPGTWCFIQMVHEEGSLSVLGYSVLYSSLMALLVLATVLCNLGAMRNLYAMHRRLQRHPRSCTRDCAEPRADGREASPQPLEELDHLLLLALMTVLFTMCSLPVIYRAYYGAFKDVKEKNRTSEEAEDLRALRFLSVISIVDPWIFIIFRSPVFRIFFHKIFIRPLRYRSRCSNSTNMESSL
UniProt	Q13258
Protein Data Bank	N/A
GPCR-HGmod model	Q13258
3D structure model	This predicted structure model is from GPCR-EXP Q13258.
BioLiP	N/A
Therapeutic Target Database	T68782
ChEMBL	CHEMBL4427
IUPHAR	338
DrugBank	BE0000296

Ligand

Name	851723-84-7
Molecular formula	C21H17FN2O2
IUPAC name	2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid
Molecular weight	348.377
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.4
Synonyms	2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-indol-1-yl)acetic acid 950688-14-9 (sodium salt) AOB87167 DTXSID00234343 NCGC00386286-04 OC000459 SCHEMBL1782956 TC-155505 5-fluoro-2-methyl-3-(2-quinolinylmethyl)-1H-Indole-1-acetic acid AJ-108236 BCP04237 CS-1285 GTPL9277 OC-1768 QC-10854 Y0372 04XB9TB8OL 851723-84-7, 950688-14-9 (sodium salt) AM20120668 BDBM50296977 DA-18057 KB-79648 OC-459 SB16523 2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetic Acid AB0035922 AX8237454 CHEMBL560993 EX-A090 OC 000459 OC459 ST24039501 timapiprant AK-97093 BCP0726000084 CTK8C1481 HMS3651F15 OC-2125 S-7796 ZINC43120334 1H-Indole-1-acetic acid, 5-fluoro-2-methyl-3-(2-quinolinylmethyl)- ANW-66760 C21H17FN2O2 DB11900 MolPort-023-219-145 OC-499 SC-93534 4CA-0934 ABP001054 BC600559 CRTH2 antagonists (asthma/allergy), Oxagen FT-0729718 OC-000459 ODC-9101 SW219412-1 UNII-04XB9TB8OL (5-Fluoro-2-methyl-3-quinolin-2-ylmethylindo-1-yl)-acetic acid AKOS016007630 BCP9001018 D0X7EG HY-15342 OC-2184 s2822 [ Show all ]
Inchi Key	FATGTHLOZSXOBC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)
PubChem CID	11462174
ChEMBL	CHEMBL560993
IUPHAR	9277
BindingDB	50296977
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	7300.0 nM	PMID19608418	BindingDB,ChEMBL

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