SEQ2FUN

BioLiP

PDB CCD ID: S0I
Number of entries in BioLiP: 2
Chemical formula: C15 H14 N2 O
InChI: InChI=1S/C15H14N2O/c18-15-11-17(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)16-15/h1-9H,10-11H2,(H,16,18)
InChIKey: BSCQZYGHGGBKLI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)CN2CC(=O)Nc3c2cccc3
CACTVS 3.385O=C1CN(Cc2ccccc2)c3ccccc3N1
ACDLabs 12.01O=C2Nc1c(cccc1)N(C2)Cc3ccccc3
Name:4-benzyl-3,4-dihydroquinoxalin-2(1H)-one
ChEMBL: CHEMBL2094355
ZINC: ZINC000000226275
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).