SEQ2FUN

BioLiP

PDB CCD ID: 31E
Number of entries in BioLiP: 3
Chemical formula: C6 H7 N O S
InChI: InChI=1S/C6H7NOS/c9-5-7-4-6-2-1-3-8-6/h1-3,5H,4H2,(H,7,9)
InChIKey: BDAKRWHGDWIWEU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(oc1)C/N=C\S
CACTVS 3.385SC=NCc1occc1
OpenEye OEToolkits 1.9.2c1cc(oc1)CN=CS
ACDLabs 12.01S\C=N/Cc1occc1
Name:(Z)-[(furan-2-ylmethyl)imino]methanethiol
ZINC: ZINC000200522968
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).