SEQ2FUN

BioLiP

PDB CCD ID: O7L
Number of entries in BioLiP: 2
Chemical formula: C7 H5 N O S
InChI: InChI=1S/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3
InChIKey: VSHPLUBHIUFLES-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)c1ccc(s1)C#N
CACTVS 3.385CC(=O)c1sc(cc1)C#N
Name:5-ethanoylthiophene-2-carbonitrile
ChEMBL: CHEMBL1650234
ZINC: ZINC000000128854
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).