BioLiP

PDB

BioLiP

PDB CCD ID:

WYB

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C#N
ACDLabs 12.01	Clc1c(cc(cc1NC(=O)C(=O)O)C#N)NC(=O)C(=O)O
OpenEye OEToolkits 2.0.7	c1c(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, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

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).