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BioLiP

PDB CCD ID: PJH
Number of entries in BioLiP: 2
Chemical formula: C7 H8 N2 O
InChI: InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
InChIKey: ZYVXHFWBYUDDBM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CNC(=O)c1cccnc1
Name:~{N}-methylpyridine-3-carboxamide
ChEMBL: CHEMBL11978
DrugBank: DB08840
ZINC: ZINC000000404444
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)(download the PDF file).
  • 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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