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BioLiP

PDB CCD ID: WJC
Number of entries in BioLiP: 1
Chemical formula: C21 H19 N O3
InChI: InChI=1S/C21H19NO3/c1-15-10-11-20(19(12-15)21(23)24)22-17-8-5-9-18(13-17)25-14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H,23,24)
InChIKey: WDRAJWHANCQFDD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(Nc2cccc(OCc3ccccc3)c2)c(c1)C(O)=O
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1)C(=O)O)Nc2cccc(c2)OCc3ccccc3
Name:5-methyl-2-[(3-phenylmethoxyphenyl)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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