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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	CHEMBL417069
Molecular formula	C26H25NO4
IUPAC name	2-[[6-[(benzhydrylideneamino)oxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
Molecular weight	415.489
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	6.0
Synonyms	BDBM50284368 (6-Benzhydrylideneaminooxymethyl-5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid
Inchi Key	AEBAHBUKQCAIJY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H25NO4/c28-25(29)18-30-24-13-7-12-22-16-19(14-15-23(22)24)17-31-27-26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,19H,14-18H2,(H,28,29)
PubChem CID	44267244
ChEMBL	CHEMBL417069
IUPHAR	N/A
BindingDB	50284368
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	2400.0 nM	, Bioorg. Med. Chem. Lett., (1995) 5:10:1077	BindingDB,ChEMBL

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