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BioLiP

PDB CCD ID: QCW
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N2 O2
InChI: InChI=1S/C14H14N2O2/c1-15-13(17)12-8-5-9-16(14(12)18)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,15,17)
InChIKey: FPNFBPWMDHIOEK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)C1=CC=CN(C1=O)Cc2ccccc2
CACTVS 3.385CNC(=O)C1=CC=CN(Cc2ccccc2)C1=O
Name:~{N}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide
ChEMBL: CHEMBL4633353
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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