Ligand
Ligand Name:   (2S)-2-amino-N-[(1R,2R)-1-cyano-2-[4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]cyclopropyl]butanamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB893 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC[C@H](N)C(=O)N[C@@]1(C[C@@H]1c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C#N
Standard InChI:   InChI=1S/C21H20F3N3O/c1-2-18(26)19(28)27-20(12-25)11-17(20)15-5-3-13(4-6-15)14-7-9-16(10-8-14)21(22,23)24/h3-10,17-18H,2,11,26H2,1H3,(H,27,28)/t17-,18+,20+/m1/s1
Molecular Formula:   C21H20F3N3O Mol. Weight:   387.15585 logP:   3.97558
HBD:   2 HBA:   3
#Rotatable Bonds:   5 TPSA:   78.91

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) 6IC6 H9B
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