Ligand
Ligand Name:   1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB894 PubChem:   137797026
Synonym(s):  
  •   h9h
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@]1(NC(=O)C1(N)CCCCC1)C#N
Standard InChI:   InChI=1S/C28H35N5O3S/c1-32-15-17-33(18-16-32)37(35,36)24-11-9-22(10-12-24)21-5-7-23(8-6-21)25-19-28(25,20-29)31-26(34)27(30)13-3-2-4-14-27/h5-12,25H,2-4,13-19,30H2,1H3,(H,31,34)/t25-,28+/m1/s1
Molecular Formula:   C28H35N5O3S Mol. Weight:   521.24603 logP:   2.81718
HBD:   2 HBA:   6
#Rotatable Bonds:   6 TPSA:   119.53

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) 6IC7 H9H
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