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Ligand

NameCHEMBL1819611
Molecular formulaC27H28N2O5
IUPAC name2-[4-methyl-3-[[2-methyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
Molecular weight460.53
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50351481
SCHEMBL2188511
Inchi KeyBXGGCTPCRSAPDB-NRFANRHFSA-N
Inchi IDInChI=1S/C27H28N2O5/c1-17-8-9-19(14-26(30)31)13-23(17)28-27(32)22-11-10-20(12-18(22)2)33-16-21-15-29(3)24-6-4-5-7-25(24)34-21/h4-13,21H,14-16H2,1-3H3,(H,28,32)(H,30,31)/t21-/m0/s1
PubChem CID53494965
ChEMBLCHEMBL1819611
IUPHARN/A
BindingDB50351481
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
35050Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
35047Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357
35049Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
35053Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
35046Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
35048Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
35051Prostaglandin F2-alpha receptorP43117PtgfrMus musculus (Mouse)366
35052Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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