Ligand
Ligand Name:   GGsTop
Ligand Type:   L-peptide linking
Ligand ID:   COVPDB233 PubChem:   97992478
Synonym(s):  
  •   chembl4205728
  • schembl21189161
  • zinc98052590
  • b5602
show 3 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4205728
Canonical SMILES:   CO[P@@](=O)(CC[C@H](N)C(O)=O)Oc1cccc(CC(O)=O)c1
Standard InChI:   InChI=1S/C13H18NO7P/c1-20-22(19,6-5-11(14)13(17)18)21-10-4-2-3-9(7-10)8-12(15)16/h2-4,7,11H,5-6,8,14H2,1H3,(H,15,16)(H,17,18)/t11-,22-/m0/s1
Molecular Formula:   C13H18NO7P Mol. Weight:   331.0821 logP:   1.334
HBD:   3 HBA:   6
#Rotatable Bonds:   9 TPSA:   136.15

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Glutathione hydrolase 1 proenzyme P19440 (GGT1_HUMAN) Homo sapiens (Human) 4ZBK 4M8
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