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BioLiP Library

PDB CCD ID: 683
Number of entries in BioLiP: 2
Chemical formula: C15 H13 N O4
InChI: InChI=1S/C15H13NO4/c1-9-6-7-13(11(8-9)15(19)20)16-12-5-3-2-4-10(12)14(17)18/h2-8,16H,1H3,(H,17,18)(H,19,20)
InChIKey: KLVTUYAKQNFRLK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c2c(Nc1ccc(cc1C(=O)O)C)cccc2
CACTVS 3.370Cc1ccc(Nc2ccccc2C(O)=O)c(c1)C(O)=O
OpenEye OEToolkits 1.7.6Cc1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O
Name:2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid
ZINC: ZINC000039386706
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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