Ligand |
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Ligand Name: N-(4-methoxy-4-oxobutanoyl)-L-alanyl-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)pentyl]-L-prolinamide | ||
Ligand Type: peptide-like | ||
Ligand ID: COVPDB573 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CCCC[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC | ||
Standard InChI: InChI=1S/C21H37BN4O8/c1-5-6-9-16(22(32)33)25-20(30)15-8-7-12-26(15)21(31)14(3)24-19(29)13(2)23-17(27)10-11-18(28)34-4/h13-16,32-33H,5-12H2,1-4H3,(H,23,27)(H,24,29)(H,25,30)/t13-,14-,15-,16-/m0/s1 | ||
Molecular Formula: C21H37BN4O8 | Mol. Weight: 484.27045 | logP: -1.373 |
HBD: 5 | HBA: 8 | |
#Rotatable Bonds: 13 | 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 | 1P05 | BNO |
- |
- |
SHOW |
Alpha-lytic protease | P00778 (PRLA_LYSEN) | Lysobacter enzymogenes | 6LPR | BNO |
- |
- |
SHOW |
Kexin | P13134 (KEX2_YEAST) | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) | 1OT5 | BOR |
- |
- |
SHOW |
Alpha-lytic protease | P00778 (PRLA_LYSEN) | Lysobacter enzymogenes | 3LPR | BNO |
- |
- |
SHOW |