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BioLiP

PDB CCD ID: U7C
Number of entries in BioLiP: 1
Chemical formula: C12 H8 N2 O3
InChI: InChI=1S/C12H8N2O3/c15-12(16)10-5-11(17-14-10)8-6-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,15,16)
InChIKey: LTJHKDMGKKYAIF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc(on1)c2c[nH]c3ccccc23
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(c[nH]2)c3cc(no3)C(=O)O
Name:5-(1~{H}-indol-3-yl)-1,2-oxazole-3-carboxylic 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)(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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