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BioLiP

PDB CCD ID: KU1
Number of entries in BioLiP: 1
Chemical formula: C11 H9 N3 O4
InChI: InChI=1S/C11H9N3O4/c15-8(16)5-12-11(18)9-10(17)6-3-1-2-4-7(6)13-14-9/h1-4H,5H2,(H,12,18)(H,13,17)(H,15,16)
InChIKey: WSQQFPKJCSYPLX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=O)C(=NN2)C(=O)NCC(=O)O
ACDLabs 12.01C(=O)(O)CNC(=O)C=2C(c1ccccc1NN=2)=O
CACTVS 3.385OC(=O)CNC(=O)C1=NNc2ccccc2C1=O
Name:N-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine
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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