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):  
  •   chembl4538307
  • schembl1498878
  • bdbm50502623
  • (2s,4r)-n-[(1s)-1-cyano-2-(4-phenylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
show 3 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
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