SEQ2FUN

BioLiP

PDB CCD ID: OUW
Number of entries in BioLiP: 2
Chemical formula: C8 H11 N3 O
InChI: InChI=1S/C8H11N3O/c1-9-6-3-4-11-7(5-6)8(12)10-2/h3-5H,1-2H3,(H,9,11)(H,10,12)
InChIKey: YKMVOSKHDGRIPD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC(=O)c1cc(NC)ccn1
OpenEye OEToolkits 2.0.7CNc1ccnc(c1)C(=O)NC
Name:~{N}-methyl-4-(methylamino)pyridine-2-carboxamide
ChEMBL: CHEMBL4593381
ZINC: ZINC000035673683

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).