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Ligand

Name3-Nitrobenzyl benzoate
Molecular formulaC14H11NO4
IUPAC name(3-nitrophenyl)methyl benzoate
Molecular weight257.245
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.8
SynonymsAC1L3WQE
DTXSID10191933
ZINC466983
Benzoic acid 3-nitrobenzyl ester
MCULE-3436937954
[ Show all ]
Inchi KeyXYHCAQKUZAEVJN-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H11NO4/c16-14(12-6-2-1-3-7-12)19-10-11-5-4-8-13(9-11)15(17)18/h1-9H,10H2
PubChem CID148251
ChEMBLCHEMBL450030
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
403847Type-1A angiotensin II receptorP29754Agtr1aMus musculus (Mouse)359

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