Ligand |
||
Ligand Name: 4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1122 | PubChem: 5288869 | |
Synonym(s):
|
||
DrugBank: - | ChEMBL: CHEMBL1234556 | |
Canonical SMILES: c1ccccc1S(=O)(=O)/C=C/[C@H](CCC)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCC(CC3)N4CCOCC4 | ||
Standard InChI: InChI=1S/C31H42N4O5S/c1-2-9-26(16-23-41(38,39)28-12-7-4-8-13-28)32-30(36)29(24-25-10-5-3-6-11-25)33-31(37)35-17-14-27(15-18-35)34-19-21-40-22-20-34/h3-8,10-13,16,23,26-27,29H,2,9,14-15,17-22,24H2,1H3,(H,32,36)(H,33,37)/b23-16+/t26-,29-/m0/s1 | ||
Molecular Formula: C31H42N4O5S | Mol. Weight: 582.2876 | logP: 3.3764 |
HBD: 2 | HBA: 6 | |
#Rotatable Bonds: 11 | TPSA: 108.05 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Cathepsin F | Q9UBX1 (CATF_HUMAN) | Homo sapiens (Human) | 1M6D | MYP |
- |
- |
SHOW |