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Ligand

NameCHEMBL1915675
Molecular formulaC28H30N2O5
IUPAC name2-[3-[[2,6-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]-4-methylphenyl]acetic acid
Molecular weight474.557
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50357638
SCHEMBL730780
Inchi KeyMCJBGFFYRJASCF-QFIPXVFZSA-N
Inchi IDInChI=1S/C28H30N2O5/c1-17-9-10-20(14-26(31)32)13-23(17)29-28(33)27-18(2)11-21(12-19(27)3)34-16-22-15-30(4)24-7-5-6-8-25(24)35-22/h5-13,22H,14-16H2,1-4H3,(H,29,33)(H,31,32)/t22-/m0/s1
PubChem CID11202310
ChEMBLCHEMBL1915675
IUPHARN/A
BindingDB50357638
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
202059Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
202058Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357

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