SEQ2FUN

BioLiP

PDB CCD ID: E3J
Number of entries in BioLiP: 2
Chemical formula: C13 H18 N2 O2 S
InChI: InChI=1S/C13H18N2O2S/c16-13(11-3-1-2-4-12(11)18)14-5-6-15-7-9-17-10-8-15/h1-4,18H,5-10H2,(H,14,16)
InChIKey: ZLDHBHAHQHKIKU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)NCCN2CCOCC2)S
CACTVS 3.385Sc1ccccc1C(=O)NCCN2CCOCC2
Name:~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-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).