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BioLiP

PDB CCD ID: ZV2
Number of entries in BioLiP: 2
Chemical formula: C11 H11 F N3 O S
InChI: InChI=1S/C11H11FN3OS/c12-8-1-3-9(4-2-8)14-10(16)7-15-5-6-17-11(15)13/h1-6H,7,13H2,(H,14,16)
InChIKey: DBANAUMFACXVKZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1scc[n]1CC(=O)Nc2ccc(F)cc2
OpenEye OEToolkits 2.0.7c1cc(ccc1NC(=O)C[N]2=C(SC=C2)N)F
Name:2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide
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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