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GPCR

Name	Prostaglandin E2 receptor EP3 subtype
Species	Homo sapiens (Human)
Gene	PTGER3
Synonym	EP3 receptor PGE receptor EP3 subtype PGE2 receptor EP3 subtype PGE2-R prostaglandin E receptor 3 Prostanoid EP3 receptor [ Show all ]
Disease	Pain Peripheral vascular disease Asthma Glaucoma
Length	390
Amino acid sequence	MKETRGYGGDAPFCTRLNHSYTGMWAPERSAEARGNLTRPPGSGEDCGSVSVAFPITMLLTGFVGNALAMLLVSRSYRRRESKRKKSFLLCIGWLALTDLVGQLLTTPVVIVVYLSKQRWEHIDPSGRLCTFFGLTMTVFGLSSLFIASAMAVERALAIRAPHWYASHMKTRATRAVLLGVWLAVLAFALLPVLGVGQYTVQWPGTWCFISTGRGGNGTSSSHNWGNLFFASAFAFLGLLALTVTFSCNLATIKALVSRCRAKATASQSSAQWGRITTETAIQLMGIMCVLSVCWSPLLIMMLKMIFNQTSVEHCKTHTEKQKECNFFLIAVRLASLNQILDPWVYLLLRKILLRKFCQIRYHTNNYASSSTSLPCQCSSTLMWSDHLER
UniProt	P43115
Protein Data Bank	6m9t
GPCR-HGmod model	P43115
3D structure model	This structure is from PDB ID 6m9t.
BioLiP	BL0434681
Therapeutic Target Database	T85467
ChEMBL	CHEMBL3710
IUPHAR	342
DrugBank	BE0002375

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	BDBM50206025 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)- 55028-71-2 (mono-hydrochloride salt) BSPBio_001336 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 AL 5848 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 BML2-G08 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 AC1NSJZQ CAS-40666-16-8 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 AL-5848 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 54276-17-4 BRD-K31611373-001-02-7 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 AKOS024458212 CHEBI:60782 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 [ 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	3400.0 nM	PMID28105284	BindingDB,ChEMBL
Ki	708.0 nM	PMID10634944	IUPHAR

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