SEQ2FUN

BioLiP

PDB CCD ID: KSU
Number of entries in BioLiP: 2
Chemical formula: C10 H9 N O2
InChI: InChI=1S/C10H9NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey: ZTUKZULGOCFJET-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1CCC(=O)N1c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)N2C(=O)CCC2=O
Name:1-phenylpyrrolidine-2,5-dione;
N-Phenylmaleimide (reacted form of)
ChEMBL: CHEMBL579013
ZINC: ZINC000000368993
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).