SEQ2FUN

BioLiP

PDB CCD ID: NYI
Number of entries in BioLiP: 0
Chemical formula: C11 H10 N2 O2
InChI: InChI=1S/C11H10N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h2-6H,1,7H2,(H,12,14)
InChIKey: JQTQCSOPRIYFTH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0C=CC(=O)N1CC(=O)Nc2c1cccc2
CACTVS 3.385C=CC(=O)N1CC(=O)Nc2ccccc12
Name:4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one
ChEMBL: CHEMBL5171496
ZINC: ZINC000036334279
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).