SEQ2FUN

BioLiP

PDB CCD ID: 2HQ
Number of entries in BioLiP: 3
Chemical formula: C8 H4 Cl N O2
InChI: InChI=1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
InChIKey: XHDJYQWGFIBCEP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Clc1ccc2NC(=O)C(=O)c2c1
OpenEye OEToolkits 1.7.6c1cc2c(cc1Cl)C(=O)C(=O)N2
ACDLabs 12.01Clc1cc2c(cc1)NC(=O)C2=O
Name:5-chloro-1H-indole-2,3-dione
ChEMBL: CHEMBL327012
ZINC: ZINC000001722141
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).