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BioLiP Library

PDB CCD ID: ZC3
Number of entries in BioLiP: 4
Chemical formula: C9 H7 F N2 O S
InChI: InChI=1S/C9H7FN2OS/c1-5(13)11-9-12-7-4-6(10)2-3-8(7)14-9/h2-4H,1H3,(H,11,12,13)
InChIKey: DPZGAHUPXGKUDW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)Nc1nc2cc(ccc2s1)F
CACTVS 3.385CC(=O)Nc1sc2ccc(F)cc2n1
Name:N-(5-FLUORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE
ChEMBL: CHEMBL4754469
ZINC: ZINC000584905719
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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