Ligand
Ligand Name:   N-carbobenzoxy-L-alanine p-nitrophenyl ester
Ligand Type:   non-polymer
Ligand ID:   COVPDB544 PubChem:   7021878
Synonym(s):  
  •   z-ala-onp
  • 1168-87-2
  • benzyloxycarbonyl-l-alanine p-nitrophenyl ester
  • z-l-ala-onp
  • benzyloxycarbonyl-l-alanine 4-nitrophenyl ester
  • 4-nitrophenyl n-[(benzyloxy)carbonyl]-l-alaninate
  • z-l-ala-(p-nitrophenyl)oh
  • schembl1801469
  • chembl3278833
  • (4-nitrophenyl) (2s)-2-(phenylmethoxycarbonylamino)propanoate
  • zinc2575524
  • 2756aa
  • mfcd00038118
  • akos016003226
  • as-48954
  • (s)-4-nitrophenyl 2-(benzyloxycarbonylamino)propanoate
  • n-alpha-benzyloxycarbonyl-l-alanine p-nitrophenyl ester
show 16 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL3278833
Canonical SMILES:   [O-][N+](=O)c1ccc(cc1)OC(=O)[C@H](C)NC(=O)OCc2ccccc2
Standard InChI:   InChI=1S/C17H16N2O6/c1-12(18-17(21)24-11-13-5-3-2-4-6-13)16(20)25-15-9-7-14(8-10-15)19(22)23/h2-10,12H,11H2,1H3,(H,18,21)/t12-/m0/s1
Molecular Formula:   C17H16N2O6 Mol. Weight:   344.10083 logP:   2.8151
HBD:   1 HBA:   6
#Rotatable Bonds:   6 TPSA:   107.77

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) 1ESB BBL
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