SEQ2FUN

BioLiP

PDB CCD ID: TZM
Number of entries in BioLiP: 2
Chemical formula: C9 H10 N4
InChI: InChI=1S/C9H10N4/c10-9-3-1-2-8(4-9)5-13-7-11-6-12-13/h1-4,6-7H,5,10H2
InChIKey: LFINNEVQJQXPHN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1cccc(Cn2cncn2)c1
OpenEye OEToolkits 1.7.6c1cc(cc(c1)N)Cn2cncn2
ACDLabs 12.01n1cn(nc1)Cc2cc(N)ccc2
Name:3-(1H-1,2,4-triazol-1-ylmethyl)aniline
ChEMBL: CHEMBL3804838
ZINC: ZINC000005177701
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).