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BioLiP Library

PDB CCD ID: ES2
Number of entries in BioLiP: 3
Chemical formula: C8 H6 Cl N O
InChI: InChI=1S/C8H6ClNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChIKey: CENVPIZOTHULGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(cc1Cl)NC(=O)C2
CACTVS 3.352Clc1ccc2CC(=O)Nc2c1
Name:6-chloro-1,3-dihydro-2H-indol-2-one
ChEMBL: CHEMBL1232568
ZINC: ZINC000000157269
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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