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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	CHEMBL260674
Molecular formula	C20H14ClFN2O5
IUPAC name	2-[(3R)-5-chloro-1'-[(2-fluorophenyl)methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid
Molecular weight	416.789
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.8
Synonyms	ZINC14976624 BDBM21603 SCHEMBL2482377 2-[(3R)-5-chloro-1''-[(2-fluorophenyl)methyl]-1,2-dihydrospiro[indole-3,3''-pyrrolidine]-2,2'',5''-trione]acetic acid Spiro-indolinone analogue, (R)-58
Inchi Key	SKLDVYDFQCXARY-HXUWFJFHSA-N
Inchi ID	InChI=1S/C20H14ClFN2O5/c21-12-5-6-15-13(7-12)20(18(28)23(15)10-17(26)27)8-16(25)24(19(20)29)9-11-3-1-2-4-14(11)22/h1-7H,8-10H2,(H,26,27)/t20-/m1/s1
PubChem CID	24776302
ChEMBL	CHEMBL260674
IUPHAR	N/A
BindingDB	21603
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	<30000.0 nM	PMID18318469	ChEMBL

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