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Ligand

NameCHEMBL1813115
Molecular formulaC28H26N2O5
IUPAC name2-[2-methyl-1-[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-3-yl]acetic acid
Molecular weight470.525
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.0
SynonymsSCHEMBL5649507
BDBM50350349
Inchi KeyFAFWNGSTCOBJKT-NRFANRHFSA-N
Inchi IDInChI=1S/C28H26N2O5/c1-18-23(15-27(31)32)22-7-3-4-8-24(22)30(18)28(33)19-11-13-20(14-12-19)34-17-21-16-29(2)25-9-5-6-10-26(25)35-21/h3-14,21H,15-17H2,1-2H3,(H,31,32)/t21-/m0/s1
PubChem CID10116116
ChEMBLCHEMBL1813115
IUPHARN/A
BindingDB50350349
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
73361Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
73355Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357
73356Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
73357Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
73358Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
73360Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
73359Prostaglandin F2-alpha receptorP43117PtgfrMus musculus (Mouse)366
73362Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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