Ligand |
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Ligand Name: N-(tert-butoxycarbonyl)-L-alanyl-N-{(1S)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide | ||
Ligand Type: peptide-like | ||
Ligand ID: COVPDB52 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCN)B(O)OCCCO | ||
Standard InChI: InChI=1S/C21H43BN4O7/c1-14(2)17(26-18(28)15(3)24-20(30)33-21(4,5)6)19(29)25-16(10-7-8-11-23)22(31)32-13-9-12-27/h14-17,27,31H,7-13,23H2,1-6H3,(H,24,30)(H,25,29)(H,26,28)/t15-,16-,17-/m0/s1 | ||
Molecular Formula: C21H43BN4O7 | Mol. Weight: 474.32248 | logP: 0.0729 |
HBD: 6 | HBA: 8 | |
#Rotatable Bonds: 15 | TPSA: 172.24 |
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) | 1BTW | 0ZW |
- |
- |
SHOW |
Cationic trypsin | P00760 (TRY1_BOVIN) | Bos taurus (Bovine) | 1BTZ | 0ZY |
- |
- |
SHOW |