Ligand
Ligand Name:   {4-[(carbamimidoylsulfanyl)methyl]phenyl}boronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB967 PubChem:   60126757
Synonym(s):  
  •   chembl4303420
  • bc-11
  • zinc203138355
show 2 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4303420
Canonical SMILES:   NC(=N)SCc1ccc(cc1)B(O)O
Standard InChI:   InChI=1S/C8H11BN2O2S/c10-8(11)14-5-6-1-3-7(4-2-6)9(12)13/h1-4,12-13H,5H2,(H3,10,11)
Molecular Formula:   C8H11BN2O2S Mol. Weight:   210.06343 logP:   -0.50693
HBD:   4 HBA:   4
#Rotatable Bonds:   3 TPSA:   90.33

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cationic trypsin P00760 (TRY1_BOVIN) Bos taurus (Bovine) 6QIH J3T
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