SEQ2FUN

BioLiP

PDB CCD ID: RVV
Number of entries in BioLiP: 2
Chemical formula: C7 H9 N
InChI: InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3
InChIKey: JYYNAJVZFGKDEQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccnc(c1)C
ACDLabs 12.01Cc1cc(C)ncc1
CACTVS 3.385Cc1ccnc(C)c1
Name:2,4-dimethylpyridine
ChEMBL: CHEMBL5286019
ZINC: ZINC000008294954
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).