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Ligand

NameCHEMBL1813274
Molecular formulaC30H30N2O5
IUPAC name2-[1-[2,5-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-3-yl]acetic acid
Molecular weight498.579
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50350377
SCHEMBL5644482
Inchi KeyKDPLBZNGSXAWIX-NRFANRHFSA-N
Inchi IDInChI=1S/C30H30N2O5/c1-18-14-28(36-17-21-16-31(4)26-11-7-8-12-27(26)37-21)19(2)13-23(18)30(35)32-20(3)24(15-29(33)34)22-9-5-6-10-25(22)32/h5-14,21H,15-17H2,1-4H3,(H,33,34)/t21-/m0/s1
PubChem CID56678559
ChEMBLCHEMBL1813274
IUPHARN/A
BindingDB50350377
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
166581Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
166582Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357

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