Ligand
Ligand Name:   Boc-D(OMe)-Fmk
Ligand Type:   non-polymer
Ligand ID:   COVPDB729 PubChem:   46937089
Synonym(s):  
  •   methyl (3s)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate
  • db07696
  • q27096915
show 2 synonym(s)
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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