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BioLiP

PDB CCD ID: WRY
Number of entries in BioLiP: 1
Chemical formula: C12 H11 F N2 O
InChI: InChI=1S/C12H11FN2O/c1-7-10(12(16)14-2)5-8-3-4-9(13)6-11(8)15-7/h3-6H,1-2H3,(H,14,16)
InChIKey: XTBYDIXZNAOPDG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(cc2ccc(cc2n1)F)C(=O)NC
CACTVS 3.385CNC(=O)c1cc2ccc(F)cc2nc1C
ACDLabs 12.01N(C)C(=O)c2cc1ccc(F)cc1nc2C
Name:7-fluoro-N,2-dimethylquinoline-3-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).
  • 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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