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BioLiP Library

PDB CCD ID: BNY
Number of entries in BioLiP: 4
Chemical formula: C14 H12 N2 O4
InChI: InChI=1S/C14H12N2O4/c1-9-11(7-4-8-13(9)16(19)20)15-12-6-3-2-5-10(12)14(17)18/h2-8,15H,1H3,(H,17,18)
InChIKey: HDSHJLYBOCCRCF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c2ccccc2Nc1c(c(N(=O)=O)ccc1)C)O
OpenEye OEToolkits 2.0.6Cc1c(cccc1N(=O)=O)Nc2ccccc2C(=O)O
CACTVS 3.385Cc1c(Nc2ccccc2C(O)=O)cccc1[N](=O)=O
Name:2-[(2-methyl-3-nitrophenyl)amino]benzoic acid
ZINC: ZINC000196037160
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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