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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	CHEMBL303532
Molecular formula	C24H34O6S2
IUPAC name	2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(3-methoxypropyl)phenyl]but-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid
Molecular weight	482.65
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	2.8
Synonyms	BDBM50101835 [3-((1R,2S,3R)-3-Hydroxy-2-{(E)-(S)-3-hydroxy-4-[3-(3-methoxy-propyl)-phenyl]-but-1-enyl}-5-oxo-cyclopentylsulfanyl)-propylsulfanyl]-acetic acid 2-[3-[[(1R)-2beta-[(1E,3S)-3-Hydroxy-4-[3-(3-methoxypropyl)phenyl]-1-butenyl]-3alpha-hydroxy-5-oxocyclopentane-1alpha-yl]thio]propylthio]acetic acid
Inchi Key	BXUOGPXKNVFXFX-AUMRBCJYSA-N
Inchi ID	InChI=1S/C24H34O6S2/c1-30-10-3-7-17-5-2-6-18(13-17)14-19(25)8-9-20-21(26)15-22(27)24(20)32-12-4-11-31-16-23(28)29/h2,5-6,8-9,13,19-21,24-26H,3-4,7,10-12,14-16H2,1H3,(H,28,29)/b9-8+/t19-,20+,21-,24-/m1/s1
PubChem CID	44303710
ChEMBL	CHEMBL303532
IUPHAR	N/A
BindingDB	50101835
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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