Ligand
Ligand Name:   CRA-27566
Ligand Type:   non-polymer
Ligand ID:   COVPDB652 PubChem:   10062711
Synonym(s):  
  •   n-{(1r)-2-[(4-cyano-1,1-dioxidotetrahydro-2h-thiopyran-4-yl)amino]-2-oxo-1-[(trimethylsilyl)methyl]ethyl}morpholine-4-carboxamide
  • schembl14523311
  • q27458942
show 2 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1231929
Canonical SMILES:   C1COCCN1C(=O)N[C@@H](C[Si](C)(C)C)C(=O)NC2(C#N)CCS(=O)(=O)CC2
Standard InChI:   InChI=1S/C17H30N4O5SSi/c1-28(2,3)12-14(19-16(23)21-6-8-26-9-7-21)15(22)20-17(13-18)4-10-27(24,25)11-5-17/h14H,4-12H2,1-3H3,(H,19,23)(H,20,22)/t14-/m0/s1
Molecular Formula:   C17H30N4O5SSi Mol. Weight:   430.17062 logP:   0.32218
HBD:   2 HBA:   6
#Rotatable Bonds:   5 TPSA:   128.6

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cathepsin S P25774 (CATS_HUMAN) Homo sapiens (Human) 2FUD CRL
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