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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	CHEMBL9541
Molecular formula	C16H15N3O2S
IUPAC name	4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylbenzoic acid
Molecular weight	313.375
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	2.7
Synonyms	BDBM50223836 SCHEMBL5806616 Benzoic acid, 4-[[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]thio]- CTK1J2992 677343-51-0 DTXSID00465231 [ Show all ]
Inchi Key	CGEBRDJCQDVYMW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H15N3O2S/c20-15(21)11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)19-16-17-9-10-18-16/h1-8H,9-10H2,(H,20,21)(H2,17,18,19)
PubChem CID	11415742
ChEMBL	CHEMBL9541
IUPHAR	N/A
BindingDB	50223836
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	PMID15013022	BindingDB,ChEMBL

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