Ligand
Ligand Name:   N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB1000 PubChem:   138753287
Synonym(s):  
  •   chembl4566080
  • bdbm50502335
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4566080
Canonical SMILES:   CC(C)C[C@@H](B(O)O)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Cl)OC
Standard InChI:   InChI=1S/C19H30BClN2O5/c1-11(2)8-16(19(25)23-17(20(26)27)9-12(3)4)22-18(24)14-7-6-13(28-5)10-15(14)21/h6-7,10-12,16-17,26-27H,8-9H2,1-5H3,(H,22,24)(H,23,25)/t16-,17-/m0/s1
Molecular Formula:   C19H30BClN2O5 Mol. Weight:   412.19363 logP:   2.036
HBD:   4 HBA:   5
#Rotatable Bonds:   10 TPSA:   107.89

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
ATP-dependent Clp protease proteolytic subunit Q2G036 (CLPP_STAA8) Staphylococcus aureus (strain NCTC 8325 / PS 47) 6N80 JT7
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