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BioLiP

PDB CCD ID: WM5
Number of entries in BioLiP: 1
Chemical formula: C14 H13 N O3
InChI: InChI=1S/C14H13NO3/c1-18-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKey: FPIMZRVJKYCPAX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01COc1ccccc1Nc1ccccc1C(=O)O
OpenEye OEToolkits 2.0.7COc1ccccc1Nc2ccccc2C(=O)O
CACTVS 3.385COc1ccccc1Nc2ccccc2C(O)=O
Name:2-(2-methoxyanilino)benzoic acid
ChEMBL: CHEMBL2043299
ZINC: ZINC000003173666
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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