Ligand
Ligand Name:   2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB774 PubChem:   101447703
Synonym(s):  
  •   q27460099
  • 2,2'-ethynylenebis[5-(chloroacetylamino)benzenesulfonic acid]"]
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OS(=O)(=O)c1cc(NC(=O)CCl)ccc1C#Cc1ccc(NC(=O)CCl)cc1S(O)(=O)=O
Standard InChI:   InChI=1S/C18H14Cl2N2O8S2/c19-9-17(23)21-13-5-3-11(15(7-13)31(25,26)27)1-2-12-4-6-14(22-18(24)10-20)8-16(12)32(28,29)30/h3-8H,9-10H2,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)
Molecular Formula:   C18H14Cl2N2O8S2 Mol. Weight:   519.95685 logP:   1.9344
HBD:   4 HBA:   6
#Rotatable Bonds:   6 TPSA:   166.94

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Immunoglobulin G-binding protein A P38507 (SPA_STAAU) Staphylococcus aureus 5CBN EYC
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