Ligand |
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Ligand Name: Boc-D(OMe)-Fmk | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB729 | PubChem: 46937089 | |
Synonym(s):
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DrugBank: DB07696 | ChEMBL: CHEMBL1232425 | |
Canonical SMILES: COC(=O)C[C@@H](C(=O)C)NC(=O)OC(C)(C)C | ||
Standard InChI: InChI=1S/C11H19NO5/c1-7(13)8(6-9(14)16-5)12-10(15)17-11(2,3)4/h8H,6H2,1-5H3,(H,12,15)/t8-/m0/s1 | ||
Molecular Formula: C11H19NO5 | Mol. Weight: 245.12633 | logP: 1.0318 |
HBD: 1 | HBA: 5 | |
#Rotatable Bonds: 4 | TPSA: 81.7 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Caspase-3 | P42574 (CASP3_HUMAN) | Homo sapiens (Human) | 3GJR | DZE |
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