Ligand
Ligand Name:   N-(4-methoxy-4-oxobutanoyl)-L-alanyl-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-prolinamide
Ligand Type:   peptide-like
Ligand ID:   COVPDB570 PubChem:   -
Synonym(s):   -
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)CC(C)C
Standard InChI:   InChI=1S/C21H37BN4O8/c1-12(2)11-16(22(32)33)25-20(30)15-7-6-10-26(15)21(31)14(4)24-19(29)13(3)23-17(27)8-9-18(28)34-5/h12-16,32-33H,6-11H2,1-5H3,(H,23,27)(H,24,29)(H,25,30)/t13-,14-,15-,16-/m0/s1
Molecular Formula:   C21H37BN4O8 Mol. Weight:   484.27045 logP:   -1.5171
HBD:   5 HBA:   8
#Rotatable Bonds:   12 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 9LPR BLE
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-
SHOW
Alpha-lytic protease P00778 (PRLA_LYSEN) Lysobacter enzymogenes 1GBC BLE
-
-
SHOW
Alpha-lytic protease P00778 (PRLA_LYSEN) Lysobacter enzymogenes 1GBH BLE
-
-
SHOW
Alpha-lytic protease P00778 (PRLA_LYSEN) Lysobacter enzymogenes 7LPR BLE
-
-
SHOW
Alpha-lytic protease P00778 (PRLA_LYSEN) Lysobacter enzymogenes 1GBL BLE
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-
SHOW