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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	CHEMBL90491
Molecular formula	C37H32N2O4S
IUPAC name	N-[2-[4-[(6-oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]phenyl]sulfonyl-2-phenylpropanamide
Molecular weight	600.733
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	7.3
Synonyms	alpha-Methyl-N-[4'-(6-oxo-5,6,11,12-tetrahydrodibenzo[b,f]azocine-5-ylmethyl)-2-biphenylylsulfonyl]benzeneacetamide 4''-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-ylmethyl)-biphenyl-2-sulfonic acid (2-phenyl-propionyl)-amide BDBM50081453
Inchi Key	AWTBWGONODQBEZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C37H32N2O4S/c1-26(28-11-3-2-4-12-28)36(40)38-44(42,43)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-39-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)37(39)41/h2-22,26H,23-25H2,1H3,(H,38,40)
PubChem CID	9938626
ChEMBL	CHEMBL90491
IUPHAR	N/A
BindingDB	50081453
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	28300.0 nM	PMID10509919	BindingDB,ChEMBL

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