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Ligand

NameCHEMBL1819612
Molecular formulaC27H28N2O5
IUPAC name2-[3-methyl-5-[[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
SynonymsBDBM50351482
SCHEMBL2192760
Inchi KeyLYNRZWODOXOKCD-QFIPXVFZSA-N
Inchi IDInChI=1S/C27H28N2O5/c1-17-10-19(14-26(30)31)13-20(11-17)28-27(32)23-9-8-21(12-18(23)2)33-16-22-15-29(3)24-6-4-5-7-25(24)34-22/h4-13,22H,14-16H2,1-3H3,(H,28,32)(H,30,31)/t22-/m0/s1
PubChem CID56672019
ChEMBLCHEMBL1819612
IUPHARN/A
BindingDB50351482
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
199497Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
199501Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357
199502Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
199500Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
199499Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
199503Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
199496Prostaglandin F2-alpha receptorP43117PtgfrMus musculus (Mouse)366
199498Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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