Ligand
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
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-
SHOW
Chymotrypsin-like elastase family member 1 P00772 (CELA1_PIG) Sus scrofa (Pig) 1QGF TPX
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-
SHOW