SEQ2FUN

BioLiP

PDB CCD ID: BFE
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N O S
InChI: InChI=1S/C9H11NOS/c11-9(10-6-7-12)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
InChIKey: VQLAUZQBHULEDZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370SCCNC(=O)c1ccccc1
OpenEye OEToolkits 1.7.0c1ccc(cc1)C(=O)NCCS
ACDLabs 12.01O=C(NCCS)c1ccccc1
Name:N-(2-sulfanylethyl)benzamide
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).