SEQ2FUN

BioLiP

PDB CCD ID: 1YO
Number of entries in BioLiP: 2
Chemical formula: C10 H12 N4 S
InChI: InChI=1S/C10H12N4S/c1-8-4-2-3-5-9(8)6-15-10-13-12-7-14(10)11/h2-5,7H,6,11H2,1H3
InChIKey: UVAUEHMNFBWZNL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01S(c1nncn1N)Cc2ccccc2C
CACTVS 3.385
OpenEye OEToolkits 1.7.6		Cc1ccccc1CSc2nncn2N
Name:3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
ChEMBL: CHEMBL1333252
ZINC: ZINC000000145819
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).