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Ligand

NameCHEMBL1813116
Molecular formulaC29H28N2O5
IUPAC name2-[2,5-dimethyl-1-[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-3-yl]acetic acid
Molecular weight484.552
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.4
SynonymsSCHEMBL5645491
BDBM50350367
Inchi KeyJMJJALVWBXMBRZ-QFIPXVFZSA-N
Inchi IDInChI=1S/C29H28N2O5/c1-18-8-13-25-24(14-18)23(15-28(32)33)19(2)31(25)29(34)20-9-11-21(12-10-20)35-17-22-16-30(3)26-6-4-5-7-27(26)36-22/h4-14,22H,15-17H2,1-3H3,(H,32,33)/t22-/m0/s1
PubChem CID10277744
ChEMBLCHEMBL1813116
IUPHARN/A
BindingDB50350367
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
154459Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
154462Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357
154463Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
154458Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
154461Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
154465Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
154464Prostaglandin F2-alpha receptorP43117PtgfrMus musculus (Mouse)366
154460Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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