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BioLiP Library

PDB CCD ID: 4Z1
Number of entries in BioLiP: 1
Chemical formula: C8 H6 Cl2 N2 O3
InChI: InChI=1S/C8H6Cl2N2O3/c9-4-1-2-6(5(10)3-4)11-12-7(13)8(14)15/h1-3,11H,(H,12,13)(H,14,15)
InChIKey: LEIUKVPEVMKZOI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C(=O)NNc1ccc(Cl)cc1Cl
ACDLabs 12.01c1c(cc(c(NNC(C(=O)O)=O)c1)Cl)Cl
OpenEye OEToolkits 1.9.2c1cc(c(cc1Cl)Cl)NNC(=O)C(=O)O
Name:[2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid
ZINC: ZINC000038342300
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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