SEQ2FUN

BioLiP

PDB CCD ID: NVD
Number of entries in BioLiP: 6
Chemical formula: C11 H15 N5
InChI: InChI=1S/C11H15N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-6,8-9,14H,7H2,1-2H3
InChIKey: ZPORTAACPUBAHX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(C)(C)c2ccc(CNn1cnnc1)cc2
CACTVS 3.385CN(C)c1ccc(CNn2cnnc2)cc1
OpenEye OEToolkits 2.0.6CN(C)c1ccc(cc1)CNn2cnnc2
Name:N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine
ChEMBL: CHEMBL1562665
ZINC: ZINC000000468583
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).