Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

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	AH 6809
Molecular formula	C17H14O5
IUPAC name	9-oxo-6-propan-2-yloxyxanthene-2-carboxylic acid
Molecular weight	298.294
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.9
Synonyms	C17H14O5 DTXSID80187106 L000101 SR-01000597664 6-Isopropoxy-9-xanthone-2-carboxylic acid AH6809, >=98%, crystalline solid or supercooled liquid HMS3648F13 NCGC00024721-01 Tocris-0671 33458-93-4 9H-Xanthene-2-carboxylic acid, 6-(1-methylethoxy)-9-oxo- AC1Q5UST BDBM85184 CTK1C3251 KB-74545 PDSP2_001532 6-isopropoxy-9-oxo-9h-xanthene-2-carboxylic acid AH-6809 CAS_33458-93-4 GTPL1896 LS-174420 SR-01000597664-1 AKOS024458601 CHEMBL1317823 HY-10418 NSC_119461 W-5361 3425AH 9H-Xanthene-2-carboxylicacid, 6-(1-methylethoxy)-9-oxo- ACM33458934 BRD-K59339270-001-01-8 D0J9PG KS-0000180F SCHEMBL1163801 6-Isopropoxy-9-oxoxanthene-2-carboxylic acid AH6809 CHEBI:95289 HMS3266H17 MolPort-009-018-350 SR-01000597664-2 9-oxo-6-propan-2-yloxyxanthene-2-carboxylic acid AC1L3OV2 AQFFXPQJLZFABJ-UHFFFAOYSA-N CS-1549 J-019193 PDSP1_001548 ZINC3995668 6-(1-Methylethoxy)-9-oxo-9H-xanthene-2-carboxylic acid [ Show all ]
Inchi Key	AQFFXPQJLZFABJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H14O5/c1-9(2)21-11-4-5-12-15(8-11)22-14-6-3-10(17(19)20)7-13(14)16(12)18/h3-9H,1-2H3,(H,19,20)
PubChem CID	119461
ChEMBL	CHEMBL1317823
IUPHAR	1896
BindingDB	85184
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	<10000.0 nM	PMID10634944	PDSP,BindingDB
Ki	<100000.0 nM	PMID24279689	BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417