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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	CHEMBL10074
Molecular formula	C16H18ClN3S
IUPAC name	2-[[4-(4-chlorophenyl)sulfanylphenyl]methyl]-1-ethylguanidine
Molecular weight	319.851
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	3.8
Synonyms	AKOS030602554 ZINC26003213 Guanidine, N-[[4-[(4-chlorophenyl)thio]phenyl]methyl]-N'-ethyl- BDBM50223827 CTK1J3012 677343-07-6 SCHEMBL5788743 DTXSID40465235 [ Show all ]
Inchi Key	BLIVNBAXZXXNGZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18ClN3S/c1-2-19-16(18)20-11-12-3-7-14(8-4-12)21-15-9-5-13(17)6-10-15/h3-10H,2,11H2,1H3,(H3,18,19,20)
PubChem CID	11415934
ChEMBL	CHEMBL10074
IUPHAR	N/A
BindingDB	50223827
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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