Ligand
Ligand Name:   METHOXYSUCCINYL-ALA-ALA-PRO-VALINE BORONIC ACID
Ligand Type:   peptide-like
Ligand ID:   COVPDB529 PubChem:   10344639
Synonym(s):  
  •   [(1r)-1-[n-[3-(methoxycarbonyl)propionyl]-ala-ala-pro-amino]-2-methylpropyl]boranic acid
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