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Ligand

NameCHEMBL3981260
Molecular formulaC32H34N6O5
IUPAC name1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
Molecular weight582.661
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50200692
Inchi KeyBEDLUCQNYSEXAU-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H34N6O5/c1-21(25-8-10-27-26(18-25)13-15-42-27)37(19-22-3-6-24(7-4-22)32-33-35-36-34-32)20-23-5-9-28(29(17-23)41-2)43-16-14-38-30(39)11-12-31(38)40/h3-10,17-18,21H,11-16,19-20H2,1-2H3,(H,33,34,35,36)
PubChem CID134156632
ChEMBLCHEMBL3981260
IUPHARN/A
BindingDB50200692
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548127C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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