Ligand |
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Ligand Name: Val-BoroPro | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB869 | PubChem: 9942554 | |
Synonym(s):
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DrugBank: - | ChEMBL: CHEMBL305170 | |
Canonical SMILES: CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O | ||
Standard InChI: InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m0/s1 | ||
Molecular Formula: C9H19BN2O3 | Mol. Weight: 214.14888 | logP: -1.0273 |
HBD: 3 | HBA: 4 | |
#Rotatable Bonds: 3 | TPSA: 86.79 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Dipeptidyl peptidase 8 | Q6V1X1 (DPP8_HUMAN) | Homo sapiens (Human) | 6HP8 | GK2 |
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