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BioLiP

PDB CCD ID: NZ1
Number of entries in BioLiP: 14
Chemical formula: C8 H8 N2 O S
InChI: InChI=1S/C8H8N2OS/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10)
InChIKey: OMIHQJBWAPWLBO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Nc2sc1ccc(cc1n2)OC
OpenEye OEToolkits 2.0.6COc1ccc2c(c1)nc(s2)N
CACTVS 3.385COc1ccc2sc(N)nc2c1
Name:5-methoxy-1,3-benzothiazol-2-amine
ChEMBL: CHEMBL4787720
ZINC: ZINC000000323233
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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