Ligand |
||
Ligand Name: CRA-27566 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB652 | PubChem: 10062711 | |
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 |
- |
- |
SHOW |