SEQ2FUN

BioLiP

PDB CCD ID: WN7
Number of entries in BioLiP: 1
Chemical formula: C12 H13 N3
InChI: InChI=1S/C12H13N3/c1-10-6-12(9-14-7-10)15-8-11-2-4-13-5-3-11/h2-7,9,15H,8H2,1H3
InChIKey: CKIRWILOFLBVIB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(cnc1)NCc2ccncc2
CACTVS 3.385Cc1cncc(NCc2ccncc2)c1
ACDLabs 12.01c2c(CNc1cc(C)cnc1)ccnc2
Name:5-methyl-N-[(pyridin-4-yl)methyl]pyridin-3-amine
ZINC: ZINC000125096182
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).