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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
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	CHEMBL1643775
Molecular formula	C22H20F4N2O4S
IUPAC name	2-[(7R)-7-[(4-fluorophenyl)sulfonyl-methylamino]-3-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
Molecular weight	484.466
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.7
Synonyms	(R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-3-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid BDBM50333870
Inchi Key	BAURARYTOUFKMG-OAHLLOKOSA-N
Inchi ID	InChI=1S/C22H20F4N2O4S/c1-27(33(31,32)16-6-3-14(23)4-7-16)15-5-9-19-18(11-21(29)30)17-8-2-13(22(24,25)26)10-20(17)28(19)12-15/h2-4,6-8,10,15H,5,9,11-12H2,1H3,(H,29,30)/t15-/m1/s1
PubChem CID	53324589
ChEMBL	CHEMBL1643775
IUPHAR	N/A
BindingDB	50333870
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	395.0 nM	PMID21106375	BindingDB,ChEMBL

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