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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	CHEMBL557109
Molecular formula	C16H19N3O3S
IUPAC name	N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Molecular weight	333.406
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.1
Synonyms	AKOS034108068 N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide 784168-45-2 N-(5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide BDBM50296437 Z29740118 MCULE-3926600831 AC1M2CFA N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide ZINC2651404 MolPort-004-052-300 [ Show all ]
Inchi Key	GTHODMWAZRBYGQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H19N3O3S/c1-3-10(4-2)15-18-19-16(23-15)17-14(20)11-5-6-12-13(9-11)22-8-7-21-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19,20)
PubChem CID	2114670
ChEMBL	CHEMBL557109
IUPHAR	N/A
BindingDB	50296437
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	<25000.0 nM	PMID19487124	BindingDB,ChEMBL

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