SEQ2FUN

BioLiP

PDB CCD ID: 0DQ
Number of entries in BioLiP: 0
Chemical formula: C8 H7 N3 S
InChI: InChI=1S/C8H7N3S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6/h1-5H,9H2
InChIKey: VPHYLVGCMWSAEJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1nsc(c1c2ccccc2)N
CACTVS 3.370Nc1snnc1c2ccccc2
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2c(snn2)N
Name:4-phenyl-1,2,3-thiadiazol-5-amine
ChEMBL: CHEMBL4163311
ZINC: ZINC000000128073
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).