SEQ2FUN

BioLiP

PDB CCD ID: DZB
Number of entries in BioLiP: 2
Chemical formula: C17 H15 N3 O2 S
InChI: InChI=1S/C17H15N3O2S/c21-16(15-17(22)20-23-19-15)18-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,18,21)(H,20,22)
InChIKey: UXPRYPMZGKJFSU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1nsnc1C(=O)NCC(c2ccccc2)c3ccccc3
OpenEye OEToolkits 2.0.6c1ccc(cc1)C(CNC(=O)c2c(nsn2)O)c3ccccc3
Name:N-(2,2-Diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide
ChEMBL: CHEMBL4517934
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).