Ligand |
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Ligand Name: METHOXYSUCCINYL-ALA-ALA-PRO-VALINE BORONIC ACID | ||
Ligand Type: peptide-like | ||
Ligand ID: COVPDB529 | PubChem: 10344639 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](B(O)O)C(C)C | ||
Standard InChI: InChI=1S/C20H35BN4O8/c1-11(2)17(21(31)32)24-19(29)14-7-6-10-25(14)20(30)13(4)23-18(28)12(3)22-15(26)8-9-16(27)33-5/h11-14,17,31-32H,6-10H2,1-5H3,(H,22,26)(H,23,28)(H,24,29)/t12-,13-,14-,17-/m0/s1 | ||
Molecular Formula: C20H35BN4O8 | Mol. Weight: 470.2548 | logP: -1.9072 |
HBD: 5 | HBA: 8 | |
#Rotatable Bonds: 11 | TPSA: 174.37 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Alpha-lytic protease | P00778 (PRLA_LYSEN) | Lysobacter enzymogenes | 1P03 | B2V |
- |
- |
SHOW |
Alpha-lytic protease | P00778 (PRLA_LYSEN) | Lysobacter enzymogenes | 1P10 | B2V |
- |
- |
SHOW |
Alpha-lytic protease | P00778 (PRLA_LYSEN) | Lysobacter enzymogenes | 2LPR | B2V |
- |
- |
SHOW |
Alpha-lytic protease | P00778 (PRLA_LYSEN) | Lysobacter enzymogenes | 2H5D | B2V |
- |
- |
SHOW |