SEQ2FUN

BioLiP

PDB CCD ID: 3IS
Number of entries in BioLiP: 2
Chemical formula: C8 H6 Cl N O
InChI: InChI=1S/C8H6ClNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKey: WWJLCYHYLZZXBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc2NC(=O)Cc2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1Cl)CC(=O)N2
Name:5-chloranyl-1,3-dihydroindol-2-one
ChEMBL: CHEMBL2381491
ZINC: ZINC000000161358
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).