SEQ2FUN

BioLiP

PDB CCD ID: A1AUM
Number of entries in BioLiP: 1
Chemical formula: C14 H16 N2 O2
InChI: InChI=1S/C14H16N2O2/c1-10(17)16-12-7-3-2-6-11(12)15-13(18)14(16)8-4-5-9-14/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,18)
InChIKey: BKKRWWKJFGAWGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CC(=O)N1c2ccccc2NC(=O)C21CCCC2
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)N1c2ccccc2NC(=O)C13CCCC3
Name:1'-acetyl-1',4'-dihydro-3'H-spiro[cyclopentane-1,2'-quinoxalin]-3'-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).