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BioLiP

PDB CCD ID: DQL
Number of entries in BioLiP: 2
Chemical formula: C7 H6 N2 O S2
InChI: InChI=1S/C7H6N2OS2/c8-7-9-6-4(10)1-3(11)2-5(6)12-7/h1-2,10-11H,(H2,8,9)
InChIKey: FNDYLLSGAMIYJM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(cc2c(c1O)nc(s2)N)S
CACTVS 3.385Nc1sc2cc(S)cc(O)c2n1
Name:2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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