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BioLiP

PDB CCD ID: GO2
Number of entries in BioLiP: 2
Chemical formula: C8 H8 N4 S
InChI: InChI=1S/C8H8N4S/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H,(H4,9,10,11,12)
InChIKey: QMHWARSFUCGBJK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=N)Nc1sc2ccccc2n1
OpenEye OEToolkits 2.0.6c1ccc2c(c1)nc(s2)NC(=N)N
OpenEye OEToolkits 2.0.6[H]/N=C(/N)\Nc1nc2ccccc2s1
Name:1-(1,3-benzothiazol-2-yl)guanidine
ChEMBL: CHEMBL4573600
ZINC: ZINC000019595252
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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