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Ligand

NameCHEMBL364841
Molecular formulaC28H26N2O5
IUPAC name2-[2-methyl-1-[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-4-yl]acetic acid
Molecular weight470.525
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50152515
SCHEMBL991217
{2-Methyl-1-[4-(4-methyl-3,4-dihydro-2H-benzo[1,4]oxazin-2-ylmethoxy)-benzoyl]-1H-indol-4-yl}-acetic acid
Inchi KeyXECAIYOLUPUKEJ-QFIPXVFZSA-N
Inchi IDInChI=1S/C28H26N2O5/c1-18-14-23-20(15-27(31)32)6-5-8-24(23)30(18)28(33)19-10-12-21(13-11-19)34-17-22-16-29(2)25-7-3-4-9-26(25)35-22/h3-14,22H,15-17H2,1-2H3,(H,31,32)/t22-/m0/s1
PubChem CID10116114
ChEMBLCHEMBL364841
IUPHARN/A
BindingDB50152515
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
389463Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
389460Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357
389461Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
389468Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
389462Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
389465Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
389464Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
389467Prostaglandin F2-alpha receptorP43117PtgfrMus musculus (Mouse)366
389466Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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