Ligand
Ligand Name:   LLY-ketoaldehyde peptide
Ligand Type:   peptide-like
Ligand ID:   COVPDB331 PubChem:   10460295
Synonym(s):  
  •   204649-66-1
  • z-leu-leu-tyr-a-keto aldehyde
  • z-leu-leu-tyr-|a-ketoaldehyde
  • mfcd03788098
  • zinc71788525
show 4 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1ccccc1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)C=O)Cc2ccc(O)cc2
Standard InChI:   InChI=1S/C30H39N3O7/c1-19(2)14-25(28(37)31-24(27(36)17-34)16-21-10-12-23(35)13-11-21)32-29(38)26(15-20(3)4)33-30(39)40-18-22-8-6-5-7-9-22/h5-13,17,19-20,24-26,35H,14-16,18H2,1-4H3,(H,31,37)(H,32,38)(H,33,39)/t24-,25-,26-/m0/s1
Molecular Formula:   C30H39N3O7 Mol. Weight:   553.2788 logP:   3.0595
HBD:   4 HBA:   7
#Rotatable Bonds:   15 TPSA:   150.9

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Proteasome subunit beta type-5 P28074 (PSB5_HUMAN) Homo sapiens (Human) 5LF6 6VF
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