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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL9649
Molecular formula	C17H17N3O2S
IUPAC name	N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
Molecular weight	327.402
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.4
Synonyms	BDBM50223832 SCHEMBL5806737
Inchi Key	AWTBKMBUUHOYAF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H17N3O2S/c1-3-13(4-2-12(1)20-17-18-7-8-19-17)23-14-5-6-15-16(11-14)22-10-9-21-15/h1-6,11H,7-10H2,(H2,18,19,20)
PubChem CID	11267409
ChEMBL	CHEMBL9649
IUPHAR	N/A
BindingDB	50223832
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	630.96 nM	PMID15013022	ChEMBL
Ki	631.0 nM	PMID15013022	BindingDB

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