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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	CHEMBL64187
Molecular formula	C19H32O5S
IUPAC name	4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoic acid
Molecular weight	372.52
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	2.2
Synonyms	(11R,13E,15S)-9-Oxo-11,15-dihydroxy-5-thiaprosta-13-ene-1-oic acid BDBM50101861 4-{(S)-2-[(R)-3-Hydroxy-2-((1R,2R)-3-hydroxy-oct-1-enyl)-5-oxo-cyclopentyl]-ethylsulfanyl}-butyric acid
Inchi Key	IXCUJFRBJKGYEX-KIQRJQQFSA-N
Inchi ID	InChI=1S/C19H32O5S/c1-2-3-4-6-14(20)8-9-15-16(18(22)13-17(15)21)10-12-25-11-5-7-19(23)24/h8-9,14-17,20-21H,2-7,10-13H2,1H3,(H,23,24)/b9-8+/t14-,15+,16+,17+/m0/s1
PubChem CID	44304388
ChEMBL	CHEMBL64187
IUPHAR	N/A
BindingDB	50101861
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	750.0 nM	PMID11454474	BindingDB,ChEMBL

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