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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	CHEMBL62977
Molecular formula	C25H29NO4
IUPAC name	(5Z)-5-[(3aS,4S,5R,6aS)-5-hydroxy-4-[(E)-naphthalen-2-ylmethoxyiminomethyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
Molecular weight	407.51
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.8
Synonyms	N/A
Inchi Key	BFCYVJPDWNFBQD-UUEDQVRQSA-N
Inchi ID	InChI=1S/C25H29NO4/c27-24-14-21-11-17(5-1-4-8-25(28)29)13-22(21)23(24)15-26-30-16-18-9-10-19-6-2-3-7-20(19)12-18/h2-3,5-7,9-10,12,15,21-24,27H,1,4,8,11,13-14,16H2,(H,28,29)/b17-5-,26-15+/t21-,22-,23+,24+/m0/s1
PubChem CID	44304430
ChEMBL	CHEMBL62977
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
CF	76.0 -	Bioorg. Med. Chem. Lett., (1993) 3:2:199	ChEMBL

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