Ligand |
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Ligand Name: (3S,4S)‐4‐ethyl‐1‐(4‐methylbenzenesulfonyl)‐5‐oxopyrrolidine‐3‐carboxylic acid | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1394 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: [H][C@]1(CN(C(=O)[C@@]1([H])CC)S(=O)(=O)c1ccc(C)cc1)C(O)=O | ||
Standard InChI: InChI=1S/C14H17NO5S/c1-3-11-12(14(17)18)8-15(13(11)16)21(19,20)10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3,(H,17,18)/t11-,12+/m0/s1 | ||
Molecular Formula: C14H17NO5S | Mol. Weight: 311.08273 | logP: 1.25292 |
HBD: 1 | HBA: 4 | |
#Rotatable Bonds: 4 | TPSA: 91.75 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Chymotrypsin-like elastase family member 1 | P00772 (CELA1_PIG) | Sus scrofa (Pig) | 1E34 | TPX | Ki : 1320000 nM | PDBBind | SHOW |
Chymotrypsin-like elastase family member 1 | P00772 (CELA1_PIG) | Sus scrofa (Pig) | 1E35 | TPX |
- |
- |
SHOW |
Chymotrypsin-like elastase family member 1 | P00772 (CELA1_PIG) | Sus scrofa (Pig) | 1QGF | TPX |
- |
- |
SHOW |