SEQ2FUN

BioLiP

PDB CCD ID: U3W
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 O2 S
InChI: InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey: JDSJDASOXWCHPN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1SC(=O)N(Cc2ccccc2)C1=O
OpenEye OEToolkits 2.0.7CN1C(=O)N(C(=O)S1)Cc2ccccc2
Name:2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione
ChEMBL: CHEMBL284861
ZINC: ZINC000000027361
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).