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Ligand

NameILOPROST
Molecular formulaC22H32O4
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 weight360.494
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.8
SynonymsZK 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
Ilomedine
[ Show all ]
Inchi KeyHIFJCPQKFCZDDL-ACWOEMLNSA-N
Inchi IDInChI=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 CID5311181
ChEMBLCHEMBL494
IUPHARN/A
BindingDB23954
DrugBankDB01088

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
115625Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
549284Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395
115629Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
446229Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
115626Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
115627Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
460252Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
555921Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
115630Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
460253Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
115628Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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