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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	CHEMBL1819614
Molecular formula	C26H25ClN2O5
IUPAC name	2-[4-chloro-3-[[2-methyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
Molecular weight	480.945
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.8
Synonyms	BDBM50351489 SCHEMBL2193218
Inchi Key	JQMYGQPTFIVYCP-IBGZPJMESA-N
Inchi ID	InChI=1S/C26H25ClN2O5/c1-16-11-18(33-15-19-14-29(2)23-5-3-4-6-24(23)34-19)8-9-20(16)26(32)28-22-12-17(13-25(30)31)7-10-21(22)27/h3-12,19H,13-15H2,1-2H3,(H,28,32)(H,30,31)/t19-/m0/s1
PubChem CID	56675399
ChEMBL	CHEMBL1819614
IUPHAR	N/A
BindingDB	50351489
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	1800.0 nM	PMID21982795	BindingDB,ChEMBL

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