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BioLiP

PDB CCD ID: UUD
Number of entries in BioLiP: 4
Chemical formula: C9 H8 N2 O S
InChI: InChI=1S/C9H8N2OS/c1-6(12)10-9-11-7-4-2-3-5-8(7)13-9/h2-5H,1H3,(H,10,11,12)
InChIKey: RIYZWBJLPINWTC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CC(=O)N=C1Nc2ccccc2S1
ACDLabs 12.01O=C(/N=C2\Sc1ccccc1N2)C
OpenEye OEToolkits 1.7.6CC(=O)/N=C\1/Nc2ccccc2S1
Name:N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE
ChEMBL: CHEMBL2206133
ZINC: ZINC000000126108
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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