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BioLiP

PDB CCD ID: NYE
Number of entries in BioLiP: 1
Chemical formula: C11 H9 N O2
InChI: InChI=1S/C11H9NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,12H2,(H,13,14)
InChIKey: XFXOLBNQYFRSLQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2cc(c(cc2c1)C(=O)O)N
CACTVS 3.385Nc1cc2ccccc2cc1C(O)=O
Name:3-azanylnaphthalene-2-carboxylic acid
ChEMBL: CHEMBL1935084
ZINC: ZINC000000336737
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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