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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	CHEMBL138520
Molecular formula	C22H31FO5
IUPAC name	7-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-[(3S,4S)-3-hydroxy-4-methylnona-1,6-diynyl]cyclopentyl]-6-oxoheptanoic acid
Molecular weight	394.483
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	2.2
Synonyms	N/A
Inchi Key	BDSTUZJHCASZCJ-SZOCEBHJSA-N
Inchi ID	InChI=1S/C22H31FO5/c1-3-4-5-8-15(2)20(25)12-11-17-18(19(23)14-21(17)26)13-16(24)9-6-7-10-22(27)28/h15,17-21,25-26H,3,6-10,13-14H2,1-2H3,(H,27,28)/t15-,17+,18+,19+,20+,21+/m0/s1
PubChem CID	15024625
ChEMBL	CHEMBL138520
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
KF	32.0 -	Bioorg. Med. Chem. Lett., (1992) 2:5:445	ChEMBL

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