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Ligand

NameCHEMBL415308
Molecular formulaC21H28N2O5S
IUPAC nameethyl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5-[(2-thiophen-3-ylacetyl)amino]benzoate
Molecular weight420.524
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.3
SynonymsSCHEMBL10789464
Inchi KeyLYMWJSSXZZSVGC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H28N2O5S/c1-4-27-21(26)18-10-16(23-20(25)9-15-7-8-29-13-15)5-6-19(18)28-12-17(24)11-22-14(2)3/h5-8,10,13-14,17,22,24H,4,9,11-12H2,1-3H3,(H,23,25)
PubChem CID13306518
ChEMBLCHEMBL415308
IUPHARN/A
BindingDBN/A
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
199474Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
199475Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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