Ligand
Ligand Name:   (2S)-N-[(1S)-1-cyano-2-{4'-cyano-[1,1'-biphenyl]-4-yl}ethyl]pyrrolidine-2-carboxamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB1019 PubChem:   155561515
Synonym(s):  
  •   chembl4570759
  • bdbm50502617
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4570759
Canonical SMILES:   O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CCCN1
Standard InChI:   InChI=1S/C21H20N4O/c22-13-16-5-9-18(10-6-16)17-7-3-15(4-8-17)12-19(14-23)25-21(26)20-2-1-11-24-20/h3-10,19-20,24H,1-2,11-12H2,(H,25,26)/t19-,20-/m0/s1
Molecular Formula:   C21H20N4O Mol. Weight:   344.1637 logP:   2.52816
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) 6RN7 K9W
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