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BioLiP

PDB CCD ID: JAE
Number of entries in BioLiP: 2
Chemical formula: C7 H6 N2 S
InChI: InChI=1S/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2
InChIKey: FAYAYUOZWYJNBD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1N)scn2
CACTVS 3.385Nc1ccc2ncsc2c1
Name:1,3-benzothiazol-6-amine
ZINC: ZINC000000332484
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)(download the PDF file).
  • 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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