Ligand
Ligand Name:   (2S,4S)-N-[(1S)-1-cyano-2-{4'-cyano-[1,1'-biphenyl]-4-yl}ethyl]-4-(methylsulfanyl)pyrrolidine-2-carboxamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB1023 PubChem:   155543410
Synonym(s):  
  •   chembl4561264
  • bdbm50502619
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4561264
Canonical SMILES:   CS[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Standard InChI:   InChI=1S/C22H22N4OS/c1-28-20-11-21(25-14-20)22(27)26-19(13-24)10-15-2-6-17(7-3-15)18-8-4-16(12-23)5-9-18/h2-9,19-21,25H,10-11,14H2,1H3,(H,26,27)/t19-,20-,21-/m0/s1
Molecular Formula:   C22H22N4OS Mol. Weight:   390.15143 logP:   2.86966
HBD:   2 HBA:   5
#Rotatable Bonds:   6 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) 6RNI KAQ
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