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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	CHEMBL309835
Molecular formula	C26H29NO5S
IUPAC name	(Z)-7-[(1S,2R,3R,4R)-3-(dibenzofuran-2-ylsulfonylamino)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Molecular weight	467.58
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.4
Synonyms	(Z)-7-[(1S,2R,3R,4R)-3-(Dibenzofuran-2-sulfonylamino)-bicyclo[2.2.1]hept-2-yl]-hept-5-enoic acid ABGGBXIEVBJCCD-DUMHOLGYSA-N (+) 7-[3-(Dibenzofuran-2-sulfonylamino)-bicyclo[2.2.1]hept-2-yl]-hept-5-enoic acid (Z)-7-[(1S,4R)-3alpha-[(Dibenzofuran-2-yl)sulfonylamino]bicyclo[2.2.1]heptan-2beta-yl]-5-heptenoic acid BDBM50060461 (Z)-7-[(1S,2R,3R,4R)-3-(2-dibezofuryl)sulfonylaminobicyclo[2.2.1]hept-2-yl]-5-heptenoic acid SCHEMBL8536804 [ Show all ]
Inchi Key	ABGGBXIEVBJCCD-DUMHOLGYSA-N
Inchi ID	InChI=1S/C26H29NO5S/c28-25(29)10-4-2-1-3-7-20-17-11-12-18(15-17)26(20)27-33(30,31)19-13-14-24-22(16-19)21-8-5-6-9-23(21)32-24/h1,3,5-6,8-9,13-14,16-18,20,26-27H,2,4,7,10-12,15H2,(H,28,29)/b3-1-/t17-,18+,20+,26+/m0/s1
PubChem CID	10671942
ChEMBL	CHEMBL309835
IUPHAR	N/A
BindingDB	50060461
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1500.0 nM	PMID9357516	BindingDB,ChEMBL

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