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BioLiP

PDB CCD ID: U9C
Number of entries in BioLiP: 1
Chemical formula: C13 H12 N4 S
InChI: InChI=1S/C13H12N4S/c14-8-1-3-9(4-2-8)16-10-5-6-11-12(7-10)18-17-13(11)15/h1-7,16H,14H2,(H2,15,17)
InChIKey: FECJVFNLOHROBQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1N)Nc2ccc3c(c2)snc3N
CACTVS 3.385Nc1ccc(Nc2ccc3c(N)nsc3c2)cc1
Name:~{N}6-(4-aminophenyl)-1,2-benzothiazole-3,6-diamine
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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