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BioLiP

PDB CCD ID: LJM
Number of entries in BioLiP: 1
Chemical formula: C13 H13 F N2 O S
InChI: InChI=1S/C13H13FN2OS/c1-2-11-8-16-13(18-11)12(17)15-7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17)
InChIKey: RQZLQKRNRVOGMG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCc1cnc(s1)C(=O)NCc2ccc(cc2)F
ACDLabs 12.01n2c(C(NCc1ccc(F)cc1)=O)sc(c2)CC
CACTVS 3.385CCc1sc(nc1)C(=O)NCc2ccc(F)cc2
Name:5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide
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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