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GLASS

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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	CHEMBL3793957
Molecular formula	C24H30N2O4
IUPAC name	2-[1-[2-(N-benzoyl-2,4-dimethylanilino)ethyl]piperidin-4-yl]oxyacetic acid
Molecular weight	410.514
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.4
Synonyms	BDBM50163300
Inchi Key	AHHLHGMBGXSSSV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H30N2O4/c1-18-8-9-22(19(2)16-18)26(24(29)20-6-4-3-5-7-20)15-14-25-12-10-21(11-13-25)30-17-23(27)28/h3-9,16,21H,10-15,17H2,1-2H3,(H,27,28)
PubChem CID	127028866
ChEMBL	CHEMBL3793957
IUPHAR	N/A
BindingDB	50163300
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<1000.0 nM	PMID26996371	BindingDB,ChEMBL

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