SEQ2FUN

BioLiP

PDB CCD ID: OPP
Number of entries in BioLiP: 0
Chemical formula: C10 H8 N2 O5
InChI: InChI=1S/C10H8N2O5/c13-7-1-2-8(14)11(7)5-17-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2
InChIKey: UTRLJOWPWILGSB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=C1C=CC(=O)N1COCN2C(=O)C=CC2=O
OpenEye OEToolkits 1.5.0C1=CC(=O)N(C1=O)COCN2C(=O)C=CC2=O
ACDLabs 10.04O=C1N(C(=O)C=C1)COCN2C(=O)C=CC2=O
Name:1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE
DrugBank: DB04085
ZINC: ZINC000002384689
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).