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Ligand

Nameo-Nitrobenzyl benzoate
Molecular formulaC14H11NO4
IUPAC name(2-nitrophenyl)methyl benzoate
Molecular weight257.245
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.1
SynonymsAC1L36Z2
I88OOH313Y
ZINC6095826
Benzoic acid 2-nitrobenzyl ester
2-Nitrobenzenemethanol benzoate (ester)
[ Show all ]
Inchi KeyIFNWVKHDWYPTRH-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H11NO4/c16-14(11-6-2-1-3-7-11)19-10-12-8-4-5-9-13(12)15(17)18/h1-9H,10H2
PubChem CID135722
ChEMBLCHEMBL498501
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
132067Type-1A angiotensin II receptorP29754Agtr1aMus musculus (Mouse)359

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