SEQ2FUN

BioLiP

PDB CCD ID: F7B
Number of entries in BioLiP: 2
Chemical formula: C9 H7 Cl O S
InChI: InChI=1S/C9H7ClOS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChIKey: OKHUUKHZUNKSQA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc1Cl)C(=O)CCS2
CACTVS 3.385Clc1ccc2SCCC(=O)c2c1
Name:6-chloranyl-2,3-dihydrothiochromen-4-one
ChEMBL: CHEMBL4241500
ZINC: ZINC000000106039
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).