SEQ2FUN

BioLiP

PDB CCD ID: 72V
Number of entries in BioLiP: 8
Chemical formula: C9 H7 N O2
InChI: InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
InChIKey: VCYBVWFTGAZHGH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1C(=O)C(=O)c2ccccc12
OpenEye OEToolkits 2.0.5CN1c2ccccc2C(=O)C1=O
Name:1-methylindole-2,3-dione
ChEMBL: CHEMBL60569
ZINC: ZINC000001675288
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).