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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	13,14-Dihydro-15-keto-PGE2
Molecular formula	C20H32O5
IUPAC name	(Z)-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid
Molecular weight	352.471
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.4
Synonyms	CUJMXIQZWPZMNQ-XYYGWQPLSA-N PGEM (5Z)-11alpha-hydroxy-9,15-dioxoprost-5-enoic acid 363-23-5 AC1NQXGW KH(2)PGE(2) SR-01000946429 11-alpha-hydroxy-9,15-dioxoprost-5-enoic acid 13,14-Dihydro-15-ketoprostaglandin E2 solution CAS_363-23-5 PGE2 13,14-dihydro 13,14-dihydro-15-keto Prostaglandin E2 15-Keto-13,14-dihydro-PGE2 dhk-PGE2 Prost-5-en-1-oic acid, 11-hydroxy-9,15-dioxo-, (5Z,11alpha)- (Z)-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid 13,14-dihydro-15-keto-Prostaglandin E2 BDBM82093 LMFA03010031 SR-01000946429-1 1191AH 13,14-Dihydro-15-ketoprostaglandin E2 solution, ~90% CHEBI:15550 PGE2, 13,14-dihydro15-oxo (5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprostanoate 13,14-dihydro-15-keto Prostaglandin E2-d4 15-keto-13,14-dihydroprostaglandin E2 HMS3648H15 SCHEMBL13958223 11-alpha-hydroxy-9,15-dioxoprost-5-enoate 13,14-Dihydro-15-ketoprostaglandin E2 9,15-dioxo-11R-hydroxy-5Z-prostenoic acid C04671 MolPort-004-964-448 ZINC12496032 13,14-Dihydro-15-keto PGE2 13,14-dihydro-15-oxo-prostaglandin E2 [ Show all ]
Inchi Key	CUJMXIQZWPZMNQ-XYYGWQPLSA-N
Inchi ID	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m1/s1
PubChem CID	5280711
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82093
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	<10000.0 nM	PMID6266565	BindingDB
Ki	8410.0 nM	PMID6266565	BindingDB

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