Ligand
Ligand Name:   2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE
Ligand Type:   non-polymer
Ligand ID:   COVPDB1385 PubChem:   5289459
Synonym(s):  
  •   db03202
  • q27094133
  • 2-[2-(4-aminophenyl)-5-[(methylsulfonyl)amino]-6-oxopyrimidin-1(6h)-yl]-n-[(1s)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]acetamide
show 2 synonym(s)
DrugBank:   DB03202 ChEMBL:   CHEMBL1236261
Canonical SMILES:   CC(C)[C@H](NC(=O)Cn1c(ncc(NS(C)(=O)=O)c1=O)-c1ccc(N)cc1)C(=O)C(F)(F)F
Standard InChI:   InChI=1S/C19H22F3N5O5S/c1-10(2)15(16(29)19(20,21)22)25-14(28)9-27-17(11-4-6-12(23)7-5-11)24-8-13(18(27)30)26-33(3,31)32/h4-8,10,15,26H,9,23H2,1-3H3,(H,25,28)/t15-/m0/s1
Molecular Formula:   C19H22F3N5O5S Mol. Weight:   489.12936 logP:   1.1362
HBD:   3 HBA:   8
#Rotatable Bonds:   8 TPSA:   153.25

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) 1EAT TFI Ki : 15 nM PDBBind SHOW