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BioLiP

PDB CCD ID: 3F8
Number of entries in BioLiP: 0
Chemical formula: C14 H16 N2 O6
InChI: InChI=1S/C14H16N2O6/c17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20/h1-4H,5-10H2
InChIKey: FERLGYOHRKHQJP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1=CC(=O)N(C1=O)CCOCCOCCN2C(=O)C=CC2=O
ACDLabs 12.01
CACTVS 3.385		O=C1C=CC(=O)N1CCOCCOCCN2C(=O)C=CC2=O
Name:1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione)
ChEMBL: CHEMBL575383
ZINC: ZINC000002572930
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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