SEQ2FUN

BioLiP

PDB CCD ID: CLW
Number of entries in BioLiP: 11
Chemical formula: C7 H4 Cl N O2
InChI: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChIKey: TZFWDZFKRBELIQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Clc1ccc2OC(=O)Nc2c1
OpenEye OEToolkits 1.5.0c1cc2c(cc1Cl)NC(=O)O2
ACDLabs 10.04Clc2cc1c(OC(=O)N1)cc2
Name:CHLORZOXAZONE;
5-CHLORO-2-BENZOXAZOLONE
ChEMBL: CHEMBL1371
DrugBank: DB00356
ZINC: ZINC000084843283
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).