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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	BW A868C
Molecular formula	C25H37N3O5
IUPAC name	7-[1-benzyl-3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
Molecular weight	459.587
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	1.7
Synonyms	3-[(2-Cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxo-1-(phenylmethyl)- 4-imidazolidineheptanoic acid AKOS030530752 BWA868C FT-0702305 MFCD00877696 SR-01000946242 7-(1-benzyl-3-(2-cyclohexyl-2-hydroxyethylamino)-2,5-dioxoimidazolidin-4-yl)heptanoic acid BW A868C, >=98% (HPLC) CC-00140 HMS3648M13 PDSP1_000938 AC1L3TU1 BWA 868C D0XD4M L000153 RT-011839 4-Imidazolidineheptanoic acid, 3-((2-cyclohexyl-2-hydroxyethyl)amino)-2,5-dioxo-1-(phenylmethyl)- BW A 868C C-33353 GTPL1897 MolPort-009-018-296 SR-01000946242-1 7-[1-benzyl-3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid BW-A-868C CTK0H5668 J-003869 PDSP2_000071 118675-50-6 3-Benzyl-5-(6-carboxyhexyl)-1-(2-cyclohexyl-2-hydroxyethylamino)hydantoin ACMC-20enf8 BWA-868C DB-008723 LS-79239 SCHEMBL633483 4-Imidazolidineheptanoicacid, 3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxo-1-(phenylmethyl)- C25H37N3O5 GTPL1899 PDSP1_000071 [3H]BWA868C (+/-)-3-benzyl-5-(6-carboxyhexyl)-1-(2-cyclohexyl-2-hydroxyethylamino)hydantoin 7-[3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxo-1-(phenylmethyl)imidazolidin-4-yl]heptanoic acid BW-A868C D03AGD KB-75838 PDSP2_000924 [ Show all ]
Inchi Key	YZJVWSKJHGEIBL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H37N3O5/c29-22(20-13-7-4-8-14-20)17-26-28-21(15-9-1-2-10-16-23(30)31)24(32)27(25(28)33)18-19-11-5-3-6-12-19/h3,5-6,11-12,20-22,26,29H,1-2,4,7-10,13-18H2,(H,30,31)
PubChem CID	122021
ChEMBL	N/A
IUPHAR	1899, 1897
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
Kd	1.58489 nM	PMID11082108	IUPHAR
Ki	0.501187 - 2.51188 nM	PMID7642548, PMID2924081, PMID9579725	IUPHAR

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