Ligand |
||
Ligand Name: (2S,4R)-N-[(1S)-2-{[1,1'-biphenyl]-4-yl}-1-cyanoethyl]-4-hydroxypyrrolidine-2-carboxamide | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1018 | PubChem: 42641779 | |
Synonym(s):
|
||
DrugBank: - | ChEMBL: CHEMBL4538307 | |
Canonical SMILES: O[C@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N | ||
Standard InChI: InChI=1S/C20H21N3O2/c21-12-17(23-20(25)19-11-18(24)13-22-19)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17-19,22,24H,10-11,13H2,(H,23,25)/t17-,18+,19-/m0/s1 | ||
Molecular Formula: C20H21N3O2 | Mol. Weight: 335.1634 | logP: 1.62728 |
HBD: 3 | HBA: 4 | |
#Rotatable Bonds: 5 | TPSA: 85.15 |
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) | 6RN6 | K9Q |
- |
- |
SHOW |