SEQ2FUN

BioLiP

PDB CCD ID: 5VM
Number of entries in BioLiP: 2
Chemical formula: C7 H4 Cl N O S
InChI: InChI=1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)
InChIKey: BOBIZYYFYLLRAH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc2OC(=S)Nc2c1
OpenEye OEToolkits 2.0.4c1cc2c(cc1Cl)NC(=S)O2
Name:5-chloranyl-3~{H}-1,3-benzoxazole-2-thione
ChEMBL: CHEMBL99703
ZINC: ZINC000000349058
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).