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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Prostacyclin receptor
Species	Homo sapiens (Human)
Gene	PTGIR
Synonym	prostanoid IP receptor prostaglandin I2 receptor prostaglandin I2 (prostacyclin) receptor (IP) prostacyclin receptor PGI2 receptor PGI receptor IP receptor [ Show all ]
Disease	Solid tumours Pulmonary hypertension Medical abortion Pulmonary arterial hypertension Hypertension Gout Chronic renal failure Asthma Aborting second-trimester pregnancy Pulmonary arterial hypertension; Thrombosis [ Show all ]
Length	386
Amino acid sequence	MADSCRNLTYVRGSVGPATSTLMFVAGVVGNGLALGILSARRPARPSAFAVLVTGLAATDLLGTSFLSPAVFVAYARNSSLLGLARGGPALCDAFAFAMTFFGLASMLILFAMAVERCLALSHPYLYAQLDGPRCARLALPAIYAFCVLFCALPLLGLGQHQQYCPGSWCFLRMRWAQPGGAAFSLAYAGLVALLVAAIFLCNGSVTLSLCRMYRQQKRHQGSLGPRPRTGEDEVDHLILLALMTVVMAVCSLPLTIRCFTQAVAPDSSSEMGDLLAFRFYAFNPILDPWVFILFRKAVFQRLKLWVCCLCLGPAHGDSQTPLSQLASGRRDPRAPSAPVGKEGSCVPLSAWGEGQVEPLPPTQQSSGSAVGTSSKAEASVACSLC
UniProt	P43119
Protein Data Bank	N/A
GPCR-HGmod model	P43119
3D structure model	This predicted structure model is from GPCR-EXP P43119.
BioLiP	N/A
Therapeutic Target Database	T99954
ChEMBL	CHEMBL1995
IUPHAR	345
DrugBank	BE0000475

Ligand

Name	CHEMBL3264231
Molecular formula	C24H25F3N2O5
IUPAC name	(E)-3-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide
Molecular weight	478.468
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.5
Synonyms	SCHEMBL18509245
Inchi Key	CSDOJXMHPWNFON-BQYQJAHWSA-N
Inchi ID	InChI=1S/C24H25F3N2O5/c1-32-19-13-16(14-20(33-2)23(19)34-12-11-30)7-8-22(31)28-9-10-29-18-6-4-3-5-17(18)15-21(29)24(25,26)27/h3-8,13-15,30H,9-12H2,1-2H3,(H,28,31)/b8-7+
PubChem CID	90677068
ChEMBL	CHEMBL3264231
IUPHAR	N/A
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
Kb	95900.0 nM	PMID24773616	ChEMBL

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