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Ligand

NameMLS000723451
Molecular formulaC13H10N4O3
IUPAC name3-nitro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
Molecular weight270.248
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.9
SynonymsAC1NSTV7
cid_775111
3-NITRO-BENZOIC ACID PYRIDIN-2-YLMETHYLENE-HYDRAZIDE
BIM-0020931.P001
MolPort-004-635-155
[ Show all ]
Inchi KeyBDIPDGBKQLKZNG-OQLLNIDSSA-N
Inchi IDInChI=1S/C13H10N4O3/c18-13(10-4-3-6-12(8-10)17(19)20)16-15-9-11-5-1-2-7-14-11/h1-9H,(H,16,18)/b15-9+
PubChem CID5339648
ChEMBLCHEMBL2005961
IUPHARN/A
BindingDB60251
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: 4
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GLASS IDNameUniProtGeneSpeciesLength
20961Apelin receptorP35414APLNRHomo sapiens (Human)380
20960Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
20959Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
20962Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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