SEQ2FUN

BioLiP

PDB CCD ID: 3MP
Number of entries in BioLiP: 1
Chemical formula: C6 H7 N
InChI: InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
InChIKey: ITQTTZVARXURQS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		Cc1cccnc1
ACDLabs 10.04n1cccc(c1)C
Name:3-METHYLPYRIDINE
ChEMBL: CHEMBL15722
DrugBank: DB01996
ZINC: ZINC000008294958
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).