Ligand
Ligand Name:   N-((tert-butoxycarbonyl)alanylprolylphenylalanyl)-0-benzoylhydroxylamine
Ligand Type:   peptide-like
Ligand ID:   COVPDB14 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)(C)OC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NOC(=O)c3ccccc3
Standard InChI:   InChI=1S/C29H36N4O7/c1-19(30-28(38)39-29(2,3)4)26(36)33-17-11-16-23(33)25(35)31-22(18-20-12-7-5-8-13-20)24(34)32-40-27(37)21-14-9-6-10-15-21/h5-10,12-15,19,22-23H,11,16-18H2,1-4H3,(H,30,38)(H,31,35)(H,32,34)/t19-,22-,23-/m0/s1
Molecular Formula:   C29H36N4O7 Mol. Weight:   552.2584 logP:   2.5063
HBD:   3 HBA:   7
#Rotatable Bonds:   8 TPSA:   143.14

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Subtilisin Carlsberg P00780 (SUBC_BACLI) Bacillus licheniformis 1SCN 0EF
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