SEQ2FUN

BioLiP

PDB CCD ID: WM1
Number of entries in BioLiP: 2
Chemical formula: C6 H6 N2 O
InChI: InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)
InChIKey: IBBMAWULFFBRKK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(N)c1ncccc1
OpenEye OEToolkits 1.7.6c1ccnc(c1)C(=O)N
CACTVS 3.385NC(=O)c1ccccn1
Name:pyridine-2-carboxamide;
Picolinamide;
2-Pyridinecarboxamide
ZINC: ZINC000000388048
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).