SEQ2FUN

BioLiP

PDB CCD ID: VVL
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N3 S2
InChI: InChI=1S/C10H9N3S2/c14-9-8(12-13-10(15)11-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13,14,15)
InChIKey: LJIJCOCWWHDFLK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC2=NNC(=S)NC2=S
CACTVS 3.385S=C1NN=C(Cc2ccccc2)C(=S)N1
ACDLabs 12.01S=C1NC(=S)C(Cc2ccccc2)=NN1
Name:6-benzyl-1,2,4-triazine-3,5(2H,4H)-dithione
ChEMBL: CHEMBL1968132
ZINC: ZINC000006575289
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).