Ligand

Download

Ligand Name:   {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID
HET ID:   EDT PubChem:   5232305, 6049
DrugBank:   DB00974 ChEMBL:   CHEMBL858
Canonical SMILES:   OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O
Standard InChI:   InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
Molecular Formula:   C10H16N2O8 Mol. Weight:   292.24265 Heavy Atoms:   20
Charge:   0 Is Chiral:   False logP:   -2.0712
HBD:   4 HBA:   10 TPSA:   155.68
#Bonds:   19 #Rotatable Bonds:   11 Shape Complexity:   0.6
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Nickel-binding periplasmic protein P33590 (NIKA_ECOLI) Escherichia coli 6R4Q
-
-
SHOW