Ligand
Ligand Name:   Boc-ALA2-ALA1-NHO-Nb
Ligand Type:   non-polymer
Ligand ID:   COVPDB543 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)(C)OC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NOC(=O)c1ccc([N+]([O-])=O)cc1
Standard InChI:   InChI=1S/C18H24N4O8/c1-10(20-17(26)29-18(3,4)5)14(23)19-11(2)15(24)21-30-16(25)12-6-8-13(9-7-12)22(27)28/h6-11H,1-5H3,(H,19,23)(H,20,26)(H,21,24)/t10-,11-/m0/s1
Molecular Formula:   C18H24N4O8 Mol. Weight:   424.15942 logP:   1.2007
HBD:   3 HBA:   8
#Rotatable Bonds:   6 TPSA:   165.97

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) 1ELF BAF
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SHOW
Chymotrypsin-like elastase family member 1 P00772 (CELA1_PIG) Sus scrofa (Pig) 1ELG BAA
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SHOW