SEQ2FUN

BioLiP

PDB CCD ID: 7M6
Number of entries in BioLiP: 12
Chemical formula: C9 H10 Cl F N2 O2 S
InChI: InChI=1S/C9H10ClFN2O2S/c10-7-1-2-8-9(5-7)16(14,15)12-6-13(8)4-3-11/h1-2,5,12H,3-4,6H2
InChIKey: PDYLKRWZXXTAQJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF
CACTVS 3.385FCCN1CN[S](=O)(=O)c2cc(Cl)ccc12
Name:7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
ChEMBL: CHEMBL581906
ZINC: ZINC000038314296
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).