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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	fluprostenol
Molecular formula	C23H29F3O6
IUPAC name	(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular weight	458.474
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	2.9
Synonyms	DSSTox_RID_81358 Fluprostenolum [INN-Latin] ICI 81,008 NCGC00160386-04 travoprost free acid [1R-[1\|A(Z),2\|A(1E,3R*),3\|A,5\|A]]-7-[3,5-Dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-5-heptenoic Acid (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-5-heptenoic Acid 1771AH AC1NSJZQ CAS-40666-16-8 CHEMBL1201379 HMS1361C18 MEH3MCE8X1 SCHEMBL230607 Travoprost related compound A [USP] (+)-fluprostenol (Z)-7-[(1alpha)-3alpha,5alpha-Dihydroxy-2beta-[(3R,1E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-5-heptenoic acid 40666-16-8 AL-5848 DSSTox_CID_26122 Fluprostenol, (+)- HMS3402C18 NCGC00160386-01 Tox21_111778 WWSWYXNVCBLWNZ-QIZQQNKQSA-N (5Z)-7-((1R,2R,3R,5S)-2-((R,E)-4-(3-(trifluoromethyl)phenoxy)-3-hydroxybut-1-enyl)-3,5-dihydroxycyclopentyl)hept-5-enoic acid 16-(m-Trifluoromethylphenoxy)-17,18,19,20-tetranorprostaglandin F2alpha 54276-17-4 BRD-K31611373-001-02-7 DTXSID7046122 GTPL1940 ICI 81008 NCGC00160386-05 Travoprost related compound A A [3H](+)-fluprostenol (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl]cyclopentyl]hept-5-enoic acid AKOS024458212 CHEBI:60782 D05TNX Fluprostenol 10 mg/mL in ethanol HMS1791C18 MFCD03427566 SR-01000946504 UNII-358S7VUE5N component WWSWYXNVCBLWNZ-QIZQQNKQSA-N (+/-)-16-(3-Trifluoromethylphenoxy)tetranorprostaglandin F2alpha (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid 5-Heptenoic acid, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3R)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-buten-1-yl)cyclopentyl)-, (5Z)- BDBM50206025 DSSTox_GSID_46122 Fluprostenolum HMS3648H08 NCGC00160386-02 travoprost acid ZINC4474587 (5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]cyclopentyl]-5-heptenoic acid 16-(m-Trifluoromethylphenoxy)-17,18,19,20-tetranorprostaglandin F2\|A 55028-71-2 (mono-hydrochloride salt) BSPBio_001336 EINECS 255-029-3 GTPL3417 IDI1_033806 rac-(5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl}cyclopentyl]hept-5-enoic acid Travoprost related compound A RS [USP] [3H]-(+)-fluprostenol (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((R,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)cyclopentyl)hept-5-enoic acid 276F174 AL 5848 D08TWE Fluprostenol [INN:BAN] HMS1989C18 MolPort-006-128-349 SR-01000946504-1 UNII-MEH3MCE8X1 (5Z ,13E )-(9S,11R,15R )-9,11,15-Trihydroxy-16-(m-trifluoromethylphenoxy)-17,18,19,20-tetranor-5,13-prostadienoic acid 1007AH BML2-G08 [ Show all ]
Inchi Key	WWSWYXNVCBLWNZ-QIZQQNKQSA-N
Inchi ID	InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
PubChem CID	5311100
ChEMBL	CHEMBL1201379
IUPHAR	1940
BindingDB	50206025
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<10000.0 nM	PMID28105284	BindingDB,ChEMBL

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