SEQ2FUN

BioLiP

PDB CCD ID: A1AXZ
Number of entries in BioLiP: 2
Chemical formula: C11 H12 N2 O S
InChI: InChI=1S/C11H12N2OS/c14-10-8-12-11(15)13(10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,15)
InChIKey: CZWMOPMDVYDARG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1CNC(=S)N1CCc1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCN2C(=O)CNC2=S
CACTVS 3.385O=C1CNC(=S)N1CCc2ccccc2
Name:3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one
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).