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GLASS

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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	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	56.0 nM	PMID10634944	BindingDB

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