Ligand
Ligand Name:   3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE
Ligand Type:   non-polymer
Ligand ID:   COVPDB1386 PubChem:   5289460
Synonym(s):  
  •   db08614
  • q27097813
  • 2-{3-[(methylsulfamoyl)amino]-2-oxo-6-phenylpyridin-1(2h)-yl}-n-[(1s)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]acetamide
show 2 synonym(s)
DrugBank:   DB08614 ChEMBL:   CHEMBL1236262
Canonical SMILES:   FC(F)(F)C(=O)[C@H](C(C)C)NC(=O)Cn1c(-c2ccccc2)ccc(c1=O)NS(=O)(=O)NC
Standard InChI:   InChI=1S/C20H23F3N4O5S/c1-12(2)17(18(29)20(21,22)23)25-16(28)11-27-15(13-7-5-4-6-8-13)10-9-14(19(27)30)26-33(31,32)24-3/h4-10,12,17,24,26H,11H2,1-3H3,(H,25,28)/t17-/m0/s1
Molecular Formula:   C20H23F3N4O5S Mol. Weight:   488.13412 logP:   1.6636
HBD:   3 HBA:   6
#Rotatable Bonds:   9 TPSA:   126.37

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) 1EAS TFK Ki : 18 nM PDBBind SHOW