SEQ2FUN

BioLiP

PDB CCD ID: 1P7
Number of entries in BioLiP: 1
Chemical formula: C8 H6 Cl N O
InChI: InChI=1S/C8H6ClNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
InChIKey: VCEOKEOSVQLRNW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Clc1ccc2CNC(=O)c2c1
ACDLabs 12.01Clc1cc2C(=O)NCc2cc1
OpenEye OEToolkits 1.7.6c1cc2c(cc1Cl)C(=O)NC2
Name:6-chloro-2,3-dihydro-1H-isoindol-1-one
ChEMBL: CHEMBL2381486
ZINC: ZINC000039237328
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).