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BioLiP Library

PDB CCD ID: 1LR
Number of entries in BioLiP: 1
Chemical formula: C14 H11 N O4
InChI: InChI=1S/C14H11NO4/c16-12-10(14(18)19)7-4-8-11(12)15-13(17)9-5-2-1-3-6-9/h1-8,16H,(H,15,17)(H,18,19)
InChIKey: ZIRLPQKKFAQFCV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c2cccc(NC(=O)c1ccccc1)c2O
OpenEye OEToolkits 1.7.6c1ccc(cc1)C(=O)Nc2cccc(c2O)C(=O)O
CACTVS 3.370OC(=O)c1cccc(NC(=O)c2ccccc2)c1O
Name:3-(benzoylamino)-2-hydroxybenzoic acid
ZINC: ZINC000001429478
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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