Ligand |
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Ligand Name: METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID | ||
Ligand Type: peptide-like | ||
Ligand ID: COVPDB527 | PubChem: 74765856 | |
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](C)B(O)O | ||
Standard InChI: InChI=1S/C18H31BN4O8/c1-10(20-14(24)7-8-15(25)31-4)16(26)21-11(2)18(28)23-9-5-6-13(23)17(27)22-12(3)19(29)30/h10-13,29-30H,5-9H2,1-4H3,(H,20,24)(H,21,26)(H,22,27)/t10-,11-,12-,13-/m0/s1 | ||
Molecular Formula: C18H31BN4O8 | Mol. Weight: 442.22348 | logP: -2.5433 |
HBD: 5 | HBA: 8 | |
#Rotatable Bonds: 10 | 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 | 1GBB | B2A |
- |
- |
SHOW |
Alpha-lytic protease | P00778 (PRLA_LYSEN) | Lysobacter enzymogenes | 5LPR | B2A |
- |
- |
SHOW |
Alpha-lytic protease | P00778 (PRLA_LYSEN) | Lysobacter enzymogenes | 1GBK | B2A |
- |
- |
SHOW |
Alpha-lytic protease | P00778 (PRLA_LYSEN) | Lysobacter enzymogenes | 1P02 | B2A |
- |
- |
SHOW |
Alpha-lytic protease | P00778 (PRLA_LYSEN) | Lysobacter enzymogenes | 1GBF | B2A |
- |
- |
SHOW |