Covpdb









Ligand
Ligand Name:   K11002
Ligand Type:   non-polymer
Ligand ID:   COVPDB1446 PubChem:   9829299
Synonym(s):  
  •   chembl327624
  • schembl7349448
  • bdbm50503647
  • k-02
  • k-11002
  • 1348565-08-1
  • 170111-23-6
show 6 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL327624
Canonical SMILES:   C1COCCN1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)/C=C/S(=O)(=O)c4ccccc4
Standard InChI:   InChI=1S/C31H35N3O5S/c35-30(29(24-26-12-6-2-7-13-26)33-31(36)34-19-21-39-22-20-34)32-27(17-16-25-10-4-1-5-11-25)18-23-40(37,38)28-14-8-3-9-15-28/h1-15,18,23,27,29H,16-17,19-22,24H2,(H,32,35)(H,33,36)/b23-18+/t27-,29-/m0/s1
Molecular Formula:   C31H35N3O5S Mol. Weight:   561.22974 logP:   3.7447
HBD:   2 HBA:   5
#Rotatable Bonds:   11 TPSA:   104.81

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cysteine protease Q95PM0 (Q95PM0_TRYBR) Trypanosoma brucei rhodesiense 2P86 VS1
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SHOW
Cruzipain P25779 (CYSP_TRYCR) Trypanosoma cruzi 1F29 VS1
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SHOW