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BioLiP

PDB CCD ID: JGS
Number of entries in BioLiP: 2
Chemical formula: C11 H8 N2 O4
InChI: InChI=1S/C11H8N2O4/c14-10(9-4-5-12-17-9)13-8-3-1-2-7(6-8)11(15)16/h1-6H,(H,13,14)(H,15,16)
InChIKey: QBMMJAQLERTXMD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(cc(c1)NC(=O)c2ccno2)C(=O)O
CACTVS 3.385OC(=O)c1cccc(NC(=O)c2oncc2)c1
ACDLabs 12.01c1(oncc1)C(Nc2cc(C(O)=O)ccc2)=O
Name:3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid
ZINC: ZINC000000151365
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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