Ligand
Ligand Name:   (2S,4S)-N-[(1S)-1-cyano-2-{4'-cyano-[1,1'-biphenyl]-4-yl}ethyl]-4-fluoropyrrolidine-2-carboxamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB1021 PubChem:   155565392
Synonym(s):  
  •   chembl4579467
  • bdbm50502622
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4579467
Canonical SMILES:   F[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Standard InChI:   InChI=1S/C21H19FN4O/c22-18-10-20(25-13-18)21(27)26-19(12-24)9-14-1-5-16(6-2-14)17-7-3-15(11-23)4-8-17/h1-8,18-20,25H,9-10,13H2,(H,26,27)/t18-,19-,20-/m0/s1
Molecular Formula:   C21H19FN4O Mol. Weight:   362.1543 logP:   2.47616
HBD:   2 HBA:   4
#Rotatable Bonds:   5 TPSA:   88.71

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Dipeptidyl peptidase 1 P53634 (CATC_HUMAN) Homo sapiens (Human) 6RNE KA8
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