Ligand
Ligand Name:   GS-ESF
Ligand Type:   non-polymer
Ligand ID:   COVPDB855 PubChem:   132488776
Synonym(s):  
  •   j3.661.599k
  • gammaglu-s-(2-fluorosulfonylethyl)-l-cys-gly-oh
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   N[C@@H](CCC(=O)N[C@@H](CSCCS(F)(=O)=O)C(=O)NCC(O)=O)C(O)=O
Standard InChI:   InChI=1S/C12H20FN3O8S2/c13-26(23,24)4-3-25-6-8(11(20)15-5-10(18)19)16-9(17)2-1-7(14)12(21)22/h7-8H,1-6,14H2,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1
Molecular Formula:   C12H20FN3O8S2 Mol. Weight:   417.0676 logP:   -2.1034
HBD:   5 HBA:   8
#Rotatable Bonds:   13 TPSA:   192.96

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Glutathione S-transferase P P09211 (GSTP1_HUMAN) Homo sapiens (Human) 5X79 GF5 IC50 : 12000 nM PDBBind SHOW