Ligand
Ligand Name:   N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB1481 PubChem:   49867880
Synonym(s):  
  •   q27467681
DrugBank:   - ChEMBL:   CHEMBL1236884
Canonical SMILES:   O=C(N[C@]1(CCN(Cc2ccccc2)C1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
Standard InChI:   InChI=1S/C26H37N5O3/c27-19-26(11-12-30(20-26)18-22-9-5-2-6-10-22)29-24(32)23(17-21-7-3-1-4-8-21)28-25(33)31-13-15-34-16-14-31/h2,5-6,9-10,21,23H,1,3-4,7-8,11-18,20H2,(H,28,33)(H,29,32)/t23-,26+/m0/s1
Molecular Formula:   C26H37N5O3 Mol. Weight:   467.28964 logP:   2.65168
HBD:   2 HBA:   5
#Rotatable Bonds:   7 TPSA:   97.7

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) 2R9N Y14
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