Ligand |
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Ligand Name: Delanzomib | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB328 | PubChem: 124645820 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC(C)C[C@@H](B(O)O)NC(=O)[C@H]([C@H](C)O)NC(=O)c1cccc(n1)-c2ccccc2 | ||
Standard InChI: InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18-,19-/m0/s1 | ||
Molecular Formula: C21H28BN3O5 | Mol. Weight: 413.2122 | logP: 0.7707 |
HBD: 5 | HBA: 6 | |
#Rotatable Bonds: 9 | TPSA: 131.78 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Proteasome subunit beta type-6 | P28072 (PSB6_HUMAN) | Homo sapiens (Human) | 5LF4 | 6V7 |
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