SEQ2FUN

BioLiP

PDB CCD ID: ME9
Number of entries in BioLiP: 4
Chemical formula: C12 H12 N2 O4
InChI: InChI=1S/C12H12N2O4/c15-9-3-4-10(16)13(9)7-1-2-8-14-11(17)5-6-12(14)18/h3-6H,1-2,7-8H2
InChIKey: WXXSHAKLDCERGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O
ACDLabs 12.01
CACTVS 3.370		O=C1C=CC(=O)N1CCCCN2C(=O)C=CC2=O
Name:1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione)
ChEMBL: CHEMBL567436
ZINC: ZINC000001677060
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).