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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	BDBM50136234
Molecular formula	C30H26NO4-
IUPAC name	2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate
Molecular weight	464.541
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	7.4
Synonyms	sodium (S)-2-(3-((2-(4,5-diphenyloxazol-2-yl)cyclohex-2-enyl)methyl)phenoxy)acetate Sodium; {3-[2-(4,5-diphenyl-oxazol-2-yl)-cyclohex-2-enylmethyl]-phenoxy}-acetate Sodium; {3-[(R)-2-(4,5-diphenyl-oxazol-2-yl)-cyclohex-2-enylmethyl]-phenoxy}-acetate Sodium; {3-[(S)-2-(4,5-diphenyl-oxazol-2-yl)-cyclohex-2-enylmethyl]-phenoxy}-acetate
Inchi Key	QVZSFHJAGXKMMQ-UHFFFAOYSA-M
Inchi ID	InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
PubChem CID	21697750
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50136234
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
IC50	60.0 nM	PMID16837197	BindingDB
Ki	54.0 nM	PMID15935659, PMID15857112, PMID14643308	BindingDB
Ki	60.0 nM	PMID16837197	BindingDB

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