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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	CHEMBL280442
Molecular formula	C22H31NO4
IUPAC name	7-[(2R)-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid
Molecular weight	373.493
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.9
Synonyms	7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid BDBM50125413 7-[(2R)-2beta-(3-Hydroxy-5-phenyl-1-pentenyl)-5-oxopyrrolizino]heptanoic acid
Inchi Key	GDVRZKITCJWGMS-KWBANXLOSA-N
Inchi ID	InChI=1S/C22H31NO4/c24-20(14-11-18-8-4-3-5-9-18)15-12-19-13-16-21(25)23(19)17-7-2-1-6-10-22(26)27/h3-5,8-9,12,15,19-20,24H,1-2,6-7,10-11,13-14,16-17H2,(H,26,27)/b15-12+/t19-,20?/m0/s1
PubChem CID	44269596
ChEMBL	CHEMBL280442
IUPHAR	N/A
BindingDB	50125413
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<13000.0 nM	PMID12643927	BindingDB,ChEMBL

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