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BioLiP

PDB CCD ID: 9QT
Number of entries in BioLiP: 1
Chemical formula: C16 H9 Cl F N O2
InChI: InChI=1S/C16H9ClFNO2/c17-10-5-9(6-11(18)7-10)15-8-13(16(20)21)12-3-1-2-4-14(12)19-15/h1-8H,(H,20,21)
InChIKey: NIKQCFUMVUWEJP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc(nc2ccccc12)c3cc(F)cc(Cl)c3
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c(cc(n2)c3cc(cc(c3)Cl)F)C(=O)O
Name:2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid
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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