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BioLiP

PDB CCD ID: QZ1
Number of entries in BioLiP: 2
Chemical formula: C19 H22 F N O2
InChI: InChI=1S/C19H22FNO2/c1-2-3-4-5-8-14-9-6-10-15(13-14)21-17-12-7-11-16(20)18(17)19(22)23/h6-7,9-13,21H,2-5,8H2,1H3,(H,22,23)
InChIKey: QLXYHXDPYBBBIM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCc1cccc(c1)Nc2cccc(c2C(=O)O)F
ACDLabs 12.01c1cc(c(c(F)c1)C(O)=O)Nc2cccc(c2)CCCCCC
CACTVS 3.385CCCCCCc1cccc(Nc2cccc(F)c2C(O)=O)c1
Name:2-fluoro-6-[(3-hexylphenyl)amino]benzoic 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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