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Ligand

NameMLS000768883
Molecular formulaC16H13BrN2O7
IUPAC name[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
Molecular weight425.191
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.1
SynonymsMolPort-000-806-503
2-(4-methyl-3-nitrophenyl)-2-oxoethyl N-[(5-bromofuran-2-yl)carbonyl]glycinate
AKOS003647713
ZINC2078501
2-{3-nitro-4-methylphenyl}-2-oxoethyl [(5-bromo-2-furoyl)amino]acetate
[ Show all ]
Inchi KeyCXUDFPOCGAJDDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H13BrN2O7/c1-9-2-3-10(6-11(9)19(23)24)12(20)8-25-15(21)7-18-16(22)13-4-5-14(17)26-13/h2-6H,7-8H2,1H3,(H,18,22)
PubChem CID1738511
ChEMBLCHEMBL1550499
IUPHARN/A
BindingDB67294
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
53154Apelin receptorP35414APLNRHomo sapiens (Human)380
53155Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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