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BioLiP

PDB CCD ID: K8V
Number of entries in BioLiP: 2
Chemical formula: C13 H13 N O7
InChI: InChI=1S/C13H13NO7/c15-10(2-1-3-11(16)17)14-7-4-5-8(12(18)19)9(6-7)13(20)21/h4-6H,1-3H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKey: XOVXZYVADZDQHJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCCC(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O
OpenEye OEToolkits 2.0.6c1cc(c(cc1NC(=O)CCCC(=O)O)C(=O)O)C(=O)O
ACDLabs 12.01c1(NC(CCCC(=O)O)=O)ccc(c(c1)C(O)=O)C(O)=O
Name:4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic 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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