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BioLiP

PDB CCD ID: 01U
Number of entries in BioLiP: 0
Chemical formula: C7 H7 N3 S
InChI: InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,8H2,(H2,9,10)
InChIKey: HYBCFWFWKXJYFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1sc2cc(N)ccc2n1
ACDLabs 12.01n1c2ccc(cc2sc1N)N
OpenEye OEToolkits 1.7.0c1cc2c(cc1N)sc(n2)N
Name:1,3-benzothiazole-2,6-diamine
ChEMBL: CHEMBL328540
ZINC: ZINC000008581390
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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