SEQ2FUN

BioLiP

PDB CCD ID: 72S
Number of entries in BioLiP: 2
Chemical formula: C9 H7 N O2
InChI: InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)
InChIKey: UEHZKEABUOAZSH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cc1cccc2c1NC(=O)C2=O
CACTVS 3.385Cc1cccc2C(=O)C(=O)Nc12
Name:7-methyl-1~{H}-indole-2,3-dione
ChEMBL: CHEMBL224884
ZINC: ZINC000002039874
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).