Ligand |
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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):
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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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SHOW |