Ligand |
||
Ligand Name: (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]propoxy](phenoxy)phosphoryl}butanoic acid | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB309 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC[C@@H](O[P@@](=O)(CC[C@H](N)C(O)=O)Oc1ccccc1)C(=O)NCC(O)=O | ||
Standard InChI: InChI=1S/C16H23N2O8P/c1-2-13(15(21)18-10-14(19)20)26-27(24,9-8-12(17)16(22)23)25-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10,17H2,1H3,(H,18,21)(H,19,20)(H,22,23)/t12-,13+,27+/m0/s1 | ||
Molecular Formula: C16H23N2O8P | Mol. Weight: 402.1192 | logP: 1.0565 |
HBD: 4 | HBA: 7 | |
#Rotatable Bonds: 12 | TPSA: 165.25 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Glutathione hydrolase proenzyme | P18956 (GGT_ECOLI) | Escherichia coli (strain K12) | 5B5T | 6FY |
- |
- |
SHOW |