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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	CHEMBL64217
Molecular formula	C18H30O5S2
IUPAC name	2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid
Molecular weight	390.553
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	2.7
Synonyms	BDBM50101842 IWJGMNXHWPYORN-XPLDUGHQSA-N (11R,13E,15S)-9-Oxo-11,15-dihydroxy-3,7-dithiaprosta-13-ene-1-oic acid {3-[(1R,2S,3R)-3-Hydroxy-2-((S)-(E)-3-hydroxyoct-1-enyl)-5-oxocyclopentylsulfanyl]propylsulfanyl}acetic acid SCHEMBL967381 {3-[(S)-(R)-3-Hydroxy-2-((1S,2R)-3-hydroxy-oct-1-enyl)-5-oxo-cyclopentylsulfanyl]-propylsulfanyl}-acetic acid {3-[(1R,2S,3R)-3-Hydroxy-2-((S)-(E)-3-hydroxyoct-1-enyl)-5-oxocyclopentyl-sulfanyl]propylsulfanyl}acetic acid [ Show all ]
Inchi Key	IWJGMNXHWPYORN-XPLDUGHQSA-N
Inchi ID	InChI=1S/C18H30O5S2/c1-2-3-4-6-13(19)7-8-14-15(20)11-16(21)18(14)25-10-5-9-24-12-17(22)23/h7-8,13-15,18-20H,2-6,9-12H2,1H3,(H,22,23)/b8-7+/t13-,14-,15+,18+/m0/s1
PubChem CID	9886718
ChEMBL	CHEMBL64217
IUPHAR	N/A
BindingDB	50101842
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	PMID11454473	BindingDB,ChEMBL

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