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GPCR

Name	Prostaglandin E2 receptor EP2 subtype
Species	Homo sapiens (Human)
Gene	PTGER2
Synonym	PGE receptor EP2 subtype PGE2 receptor EP2 subtype prostaglandin E receptor 2 (subtype EP2), 53kDa Prostanoid EP2 receptor Ptger-ep2 EP2 receptor [ Show all ]
Disease	Osteoporosis Pulmonary arterial hypertension Miscarriage Medical abortion Immune disorder Glaucoma Solid tumours Endometriosis Diabetic foot ulcer Cancer [ Show all ]
Length	358
Amino acid sequence	MGNASNDSQSEDCETRQWLPPGESPAISSVMFSAGVLGNLIALALLARRWRGDVGCSAGRRSSLSLFHVLVTELVFTDLLGTCLISPVVLASYARNQTLVALAPESRACTYFAFAMTFFSLATMLMLFAMALERYLSIGHPYFYQRRVSRSGGLAVLPVIYAVSLLFCSLPLLDYGQYVQYCPGTWCFIRHGRTAYLQLYATLLLLLIVSVLACNFSVILNLIRMHRRSRRSRCGPSLGSGRGGPGARRRGERVSMAEETDHLILLAIMTITFAVCSLPFTIFAYMNETSSRKEKWDLQALRFLSINSIIDPWVFAILRPPVLRLMRSVLCCRISLRTQDATQTSCSTQSDASKQADL
UniProt	P43116
Protein Data Bank	N/A
GPCR-HGmod model	P43116
3D structure model	This predicted structure model is from GPCR-EXP P43116.
BioLiP	N/A
Therapeutic Target Database	T38529
ChEMBL	CHEMBL1881
IUPHAR	341
DrugBank	BE0000368

Ligand

Name	ILOPROST
Molecular formula	C22H32O4
IUPAC name	(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
Molecular weight	360.494
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	2.8
Synonyms	HY-A0096 J-502615 SR-05000001498-2 (1S,2R,3R,5S)-7-[(E)-4-Carboxybutylidene]-2-[(3S,1E)-3-hydroxy-4-methyl-6-octyn-1-enyl]-bicyclo[3.3.0]octane BAY-q-6256 CS-5586 Pentanoic acid, 5-(hexahydro-5-hydroxy-4-(3-hydroxy-4-methyl-1-octen-6-ynyl)-2(1H)-pentalenylidene)- ZK 36374 (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyl-oct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid 78919-13-8 BRD-A45664787-001-02-2 DB01088 HIFJCPQKFCZDDL-ACWOEMLNSA-N Iloprost, >=98% (HPLC) SR-05000001498 (5E)-5-[(3aS,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-ynyl]-2(1H)-pentalenylidene]pentanoic acid AN-36592 CHEMBL494 Ilomedin K395 Ventavis (1S,2R,3R,5S)-7-[(E)-4-carboxybutylidene]-2-[(3S,1E)-3-hydroxy-4-methyl-6-octyne-1-enyl]-3-hydroxybicyclo[3.3.0]octane 5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-octahydropentalen-2-ylidene]pentanoic acid BDBM23954 D02721 E-1030 Iloprost (USAN/INN) SCHEMBL6083382 ZK-00036374 (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid AC1NSK5T CHEBI:63916 HMS2090A19 Iloprostum SR-05000001498-1 (16R,S)-methyl-18,18,19,19-tetradehydro-6a-carbaprostaglandin I2 (Z)-5-((3aS,4R,5R,6aS)-5-hydroxy-4-((3S,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)hexahydropentalen-2(1H)-ylidene)pentanoic acid BAY Q6256 Ciloprost Ilomedine MolPort-023-276-312 ZK 00036374 (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid 73873-87-7 BRD-A45664787-001-01-4 Endoprost Iloprost [USAN:INN:BAN] SH-401 [3H]-Iloprost (5E)-5-[(3aS,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2(1H)-pentalenylidene]pentanoic Acid AKOS024456922 [ Show all ]
Inchi Key	HIFJCPQKFCZDDL-ACWOEMLNSA-N
Inchi ID	InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
PubChem CID	5311181
ChEMBL	CHEMBL494
IUPHAR	N/A
BindingDB	23954
DrugBank	DB01088
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1870.0 nM	PMID10634944	BindingDB

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