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BioLiP Library

PDB CCD ID: UX7
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2 O2 S
InChI: InChI=1S/C12H12N2O2S/c1-16-8-4-5-9-10(6-8)17-12(13-9)14-11(15)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKey: TYZQOTDNVBPGAW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(C(=O)C1CC1)c2sc3c(n2)ccc(OC)c3
CACTVS 3.385COc1ccc2nc(NC(=O)C3CC3)sc2c1
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)sc(n2)NC(=O)C3CC3
Name:N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
ChEMBL: CHEMBL4459388
ZINC: ZINC000000419826
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)(download the PDF file).
  • 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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