Ligand |
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Ligand Name: GGsTop | ||
Ligand Type: L-peptide linking | ||
Ligand ID: COVPDB233 | PubChem: 97992478 | |
Synonym(s):
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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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