SEQ2FUN

BioLiP

PDB CCD ID: A1BF1
Number of entries in BioLiP: 1
Chemical formula: C11 H12 N2 O2
InChI: InChI=1S/C11H12N2O2/c14-10-7-13(8-11(15)12-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,14,15)
InChIKey: VURIYIYAKMLWMZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)CN2CC(=O)NC(=O)C2
CACTVS 3.385O=C1CN(CC(=O)N1)Cc2ccccc2
ACDLabs 14.52O=C1CN(Cc2ccccc2)CC(=O)N1
Name:4-benzylpiperazine-2,6-dione
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).