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BioLiP Library

PDB CCD ID: WYB
Number of entries in BioLiP: 1
Chemical formula: C11 H6 Cl N3 O6
InChI: InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
InChIKey: RVGLGHVJXCETIO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C#N
ACDLabs 12.01Clc1c(cc(cc1NC(=O)C(=O)O)C#N)NC(=O)C(=O)O
OpenEye OEToolkits 2.0.7c1c(cc(c(c1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N
Name:2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid);
Lodoxamide
ChEMBL: CHEMBL1201266
DrugBank: DB06794
ZINC: ZINC000002000707

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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