SEQ2FUN

BioLiP

PDB CCD ID: CGD
Number of entries in BioLiP: 1
Chemical formula: C7 H5 N O S
InChI: InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey: YEDUAINPPJYDJZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1ccc2c(c1)sc(O)n2
OpenEye OEToolkits 2.0.6c1ccc2c(c1)nc(s2)O
CACTVS 3.385Oc1sc2ccccc2n1
Name:1,3-benzothiazol-2-ol
ChEMBL: CHEMBL276936
ZINC: ZINC000000395576
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).