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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	CHEMBL3798917
Molecular formula	C24H31ClN2O7
IUPAC name	2-[1-[2-[N-(1,3-benzodioxole-5-carbonyl)-4-methylanilino]ethyl]piperidin-4-yl]oxyacetic acid;hydrate;hydrochloride
Molecular weight	494.969
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	None
Synonyms	BDBM50167257
Inchi Key	GHJOTLLQCTXWNP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H28N2O6.ClH.H2O/c1-17-2-5-19(6-3-17)26(24(29)18-4-7-21-22(14-18)32-16-31-21)13-12-25-10-8-20(9-11-25)30-15-23(27)28;;/h2-7,14,20H,8-13,15-16H2,1H3,(H,27,28);1H;1H2
PubChem CID	127047381
ChEMBL	CHEMBL3798917
IUPHAR	N/A
BindingDB	50167257
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Ki	400.0 nM	PMID27133594	BindingDB,ChEMBL

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