SEQ2FUN

BioLiP

PDB CCD ID: NY0
Number of entries in BioLiP: 1
Chemical formula: C11 H12 N2 O2
InChI: InChI=1S/C11H12N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,12,14)
InChIKey: YCDLZRNCWDUXPK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCC(=O)N1CC(=Nc2ccccc12)O
OpenEye OEToolkits 3.1.0.0CCC(=O)N1CC(=Nc2c1cccc2)O
Name:1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one;
4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one (precursor)
ChEMBL: CHEMBL4784890
ZINC: ZINC000007452880
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).