Ligand |
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Ligand Name: 2-(2-phosphono-ethyl)-acrylic acid 4-nitro-phenyl ester | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB666 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: OP(O)(=O)CCC(=C)C(=O)Oc1ccc(cc1)[N+]([O-])=O | ||
Standard InChI: InChI=1S/C11H12NO7P/c1-8(6-7-20(16,17)18)11(13)19-10-4-2-9(3-5-10)12(14)15/h2-5H,1,6-7H2,(H2,16,17,18) | ||
Molecular Formula: C11H12NO7P | Mol. Weight: 301.03513 | logP: 1.6242 |
HBD: 2 | HBA: 5 | |
#Rotatable Bonds: 6 | TPSA: 126.97 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal | P22513 (G3PG_TRYCR) | Trypanosoma cruzi | 1ML3 | CYX |
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