Ligand |
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Ligand Name: LLY-ketoaldehyde peptide | ||
Ligand Type: peptide-like | ||
Ligand ID: COVPDB331 | PubChem: 10460295 | |
Synonym(s):
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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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SHOW |