Ligand
Ligand Name:   O-methylsuccinyl-alanyl-alanyl-prolyl-borophenylalanine
Ligand Type:   peptide-like
Ligand ID:   COVPDB528 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)Cc2ccccc2
Standard InChI:   InChI=1S/C24H35BN4O8/c1-15(26-20(30)11-12-21(31)37-3)22(32)27-16(2)24(34)29-13-7-10-18(29)23(33)28-19(25(35)36)14-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-19,35-36H,7,10-14H2,1-3H3,(H,26,30)(H,27,32)(H,28,33)/t15-,16-,18-,19-/m0/s1
Molecular Formula:   C24H35BN4O8 Mol. Weight:   518.2548 logP:   -1.3205
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 1GBI B2F
-
-
SHOW
Alpha-lytic protease P00778 (PRLA_LYSEN) Lysobacter enzymogenes 1GBD B2F
-
-
SHOW
Alpha-lytic protease P00778 (PRLA_LYSEN) Lysobacter enzymogenes 8LPR B2F
-
-
SHOW
Alpha-lytic protease P00778 (PRLA_LYSEN) Lysobacter enzymogenes 1GBM B2F
-
-
SHOW
Alpha-lytic protease P00778 (PRLA_LYSEN) Lysobacter enzymogenes 1P06 B2F
-
-
SHOW