SEQ2FUN

BioLiP

PDB CCD ID: A1I6E
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N3 O
InChI: InChI=1S/C7H9N3O/c1-9-7-5(6(8)11)3-2-4-10-7/h2-4H,1H3,(H2,8,11)(H,9,10)
InChIKey: DVBVURADALKRQB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNc1ncccc1C(N)=O
OpenEye OEToolkits 2.0.7CNc1c(cccn1)C(=O)N
Name:2-(methylamino)pyridine-3-carboxamide
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).