Ligand |
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Ligand Name: L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1435 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC(=O)NC[C@H](B(O)O)c1ccc(Cl)cc1 | ||
Standard InChI: InChI=1S/C10H13BClNO3/c1-7(14)13-6-10(11(15)16)8-2-4-9(12)5-3-8/h2-5,10,15-16H,6H2,1H3,(H,13,14)/t10-/m0/s1 | ||
Molecular Formula: C10H13BClNO3 | Mol. Weight: 241.0677 | logP: 0.5717 |
HBD: 3 | HBA: 3 | |
#Rotatable Bonds: 4 | TPSA: 69.56 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Chymotrypsinogen A | P00766 (CTRA_BOVIN) | Bos taurus (Bovine) | 1VGC | V36 | Ki : 1200 nM | PDBBind | SHOW |