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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL9846
Molecular formula	C18H19N3O2S
IUPAC name	ethyl 4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylbenzoate
Molecular weight	341.429
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.3
Synonyms	BDBM50223860 SCHEMBL5803299
Inchi Key	CXCFEQQKTMRLKW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19N3O2S/c1-2-23-17(22)13-3-7-15(8-4-13)24-16-9-5-14(6-10-16)21-18-19-11-12-20-18/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
PubChem CID	11336790
ChEMBL	CHEMBL9846
IUPHAR	N/A
BindingDB	50223860
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	50.0 nM	PMID15013022	BindingDB
Ki	50.12 nM	PMID15013022	ChEMBL

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