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BioLiP

PDB CCD ID: X0W
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N O2 S
InChI: InChI=1S/C10H11NO2S/c1-6-11-7-4-8(12-2)9(13-3)5-10(7)14-6/h4-5H,1-3H3
InChIKey: SOWIEKUNTPLSOC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1Cc1nc2cc(c(cc2s1)OC)OC
CACTVS 3.352COc1cc2sc(C)nc2cc1OC
ACDLabs 10.04n1c2cc(OC)c(OC)cc2sc1C
Name:5,6-DIMETHOXY-2-METHYL-1,3-BENZOTHIAZOLE
ZINC: ZINC000001786835
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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