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BioLiP

PDB CCD ID: 9QK
Number of entries in BioLiP: 1
Chemical formula: C16 H10 F N O2
InChI: InChI=1S/C16H10FNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20)
InChIKey: PCKQJQMHOYYDMQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c(cc(n2)c3cccc(c3)F)C(=O)O
CACTVS 3.385OC(=O)c1cc(nc2ccccc12)c3cccc(F)c3
Name:2-(3-fluorophenyl)quinoline-4-carboxylic acid
ZINC: ZINC000019803135
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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