SEQ2FUN

BioLiP

PDB CCD ID: A1BQ1
Number of entries in BioLiP: 1
Chemical formula: C9 H6 Cl N O3
InChI: InChI=1S/C9H6ClNO3/c1-14-5-3-2-4(10)7-6(5)8(12)9(13)11-7/h2-3H,1H3,(H,11,12,13)
InChIKey: DVVWQQZWRTXTMK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0COc1ccc(c2c1C(=O)C(=O)N2)Cl
CACTVS 3.385COc1ccc(Cl)c2NC(=O)C(=O)c12
ACDLabs 14.52Clc1ccc(OC)c2c1NC(=O)C2=O
Name:7-chloro-4-methoxy-1H-indole-2,3-dione
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).