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BioLiP

PDB CCD ID: HRF
Number of entries in BioLiP: 1
Chemical formula: C14 H12 N2 O4
InChI: InChI=1S/C14H12N2O4/c17-13(18)10-6-11(14(19)20)16-8-12(10)15-7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H,17,18)(H,19,20)
InChIKey: FQCUGQSKLCNUQT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O
CACTVS 3.385OC(=O)c1cc(C(O)=O)c(NCc2ccccc2)cn1
Name:5-(benzylamino)pyridine-2,4-dicarboxylic 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)(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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