SEQ2FUN

BioLiP

PDB CCD ID: 8EJ
Number of entries in BioLiP: 3
Chemical formula: C7 H8 N2 O
InChI: InChI=1S/C7H8N2O/c1-5-2-3-6(4-9-5)7(8)10/h2-4H,1H3,(H2,8,10)
InChIKey: IJXDURUAYOKSIS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1ccc(cn1)C(=O)N
CACTVS 3.385Cc1ccc(cn1)C(N)=O
Name:6-methylpyridine-3-carboxamide
ChEMBL: CHEMBL4204179
ZINC: ZINC000000039575
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).