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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	CHEMBL3398237
Molecular formula	C27H25NO4
IUPAC name	2-[[5-[2-(benzhydrylideneamino)oxyethyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid
Molecular weight	427.5
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	6.0
Synonyms	BDBM50103397
Inchi Key	CZDDMWZOGMIGCL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H25NO4/c29-26(30)19-31-25-16-8-14-23-20(13-7-15-24(23)25)17-18-32-28-27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,8-14,16H,7,15,17-19H2,(H,29,30)
PubChem CID	118727316
ChEMBL	CHEMBL3398237
IUPHAR	N/A
BindingDB	50103397
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	79.0 nM	PMID25666818	BindingDB,ChEMBL
IC50	288.0 nM	PMID25666818	BindingDB,ChEMBL
Intrinsic activity	51.0 %	PMID25666818	ChEMBL

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