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BioLiP

PDB CCD ID: ID8
Number of entries in BioLiP: 7
Chemical formula: C15 H15 N O2
InChI: InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKey: HYYBABOKPJLUIN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1Cc1cccc(c1C)Nc2ccccc2C(=O)O
CACTVS 3.352Cc1cccc(Nc2ccccc2C(O)=O)c1C
ACDLabs 10.04O=C(O)c2c(Nc1cccc(c1C)C)cccc2
Name:2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID;
MEFENAMIC ACID
ChEMBL: CHEMBL686
DrugBank: DB00784
ZINC: ZINC000000020241
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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