SEQ2FUN

BioLiP

PDB CCD ID: 8UB
Number of entries in BioLiP: 2
Chemical formula: C14 H10 N2 O S
InChI: InChI=1S/C14H10N2OS/c17-14-13(8-7-10-4-3-9-18-10)15-11-5-1-2-6-12(11)16-14/h1-9H,(H,16,17)
InChIKey: DPAFRZPZFHBARE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)NC(=O)C(=N2)C=Cc3cccs3
CACTVS 3.385O=C1Nc2ccccc2N=C1C=Cc3sccc3
Name:3-(2-thiophen-2-ylethenyl)-1~{H}-quinoxalin-2-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).