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BioLiP

PDB CCD ID: 3EE
Number of entries in BioLiP: 2
Chemical formula: C10 H9 N O4
InChI: InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)
InChIKey: CAOVWYZQMPNAFJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c1ccccc1N)CC(=O)C(=O)O
CACTVS 3.385Nc1ccccc1C(=O)CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)CC(=O)C(=O)O)N
Name:4-(2-aminophenyl)-2,4-dioxobutanoic acid
ZINC: ZINC000030724120
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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