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BioLiP

PDB CCD ID: U7L
Number of entries in BioLiP: 2
Chemical formula: C14 H12 N2 O4
InChI: InChI=1S/C14H12N2O4/c1-16-6-9(8-4-2-3-5-11(8)16)13-10(7-17)12(14(18)19)15-20-13/h2-6,17H,7H2,1H3,(H,18,19)
InChIKey: JJKVKHLXSDXTKH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cn1cc(c2c1cccc2)c3c(c(no3)C(=O)O)CO
CACTVS 3.385Cn1cc(c2onc(C(O)=O)c2CO)c3ccccc13
Name:4-(hydroxymethyl)-5-(1-methylindol-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).
  • 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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