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Ligand

NameCHEMBL1813123
Molecular formulaC29H28N2O5
IUPAC name2-[2-methyl-1-[3-methyl-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
SynonymsSCHEMBL5643569
BDBM50350372
Inchi KeyNBABHFYVGZNYRI-NRFANRHFSA-N
Inchi IDInChI=1S/C29H28N2O5/c1-18-14-20(29(34)31-19(2)23(15-28(32)33)22-8-4-5-9-24(22)31)12-13-26(18)35-17-21-16-30(3)25-10-6-7-11-27(25)36-21/h4-14,21H,15-17H2,1-3H3,(H,32,33)/t21-/m0/s1
PubChem CID10227894
ChEMBLCHEMBL1813123
IUPHARN/A
BindingDB50350372
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
218933Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
218932Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357

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