SEQ2FUN

BioLiP

PDB CCD ID: WA1
Number of entries in BioLiP: 2
Chemical formula: C9 H8 N4 O S
InChI: InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
InChIKey: HFCYZXMHUIHAQI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc(cc1)NC(=O)Nc2cnns2
CACTVS 3.370O=C(Nc1snnc1)Nc2ccccc2
ACDLabs 12.01O=C(Nc1ccccc1)Nc2snnc2
Name:1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea;
THIDIAZURON
ChEMBL: CHEMBL505661
ZINC: ZINC000000073715
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).