Ligand |
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Ligand Name: GSK3448330A | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1065 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: NC(=N)c1ccc(cc1)[C@@H]1Cc2ccccc2B(O)O1 | ||
Standard InChI: InChI=1S/C15H15BN2O2/c17-15(18)11-7-5-10(6-8-11)14-9-12-3-1-2-4-13(12)16(19)20-14/h1-8,14,19H,9H2,(H3,17,18)/t14-/m0/s1 | ||
Molecular Formula: C15H15BN2O2 | Mol. Weight: 266.12265 | logP: 0.97217 |
HBD: 3 | HBA: 3 | |
#Rotatable Bonds: 2 | TPSA: 79.33 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Kallikrein-6 | Q92876 (KLK6_HUMAN) | Homo sapiens (Human) | 6SKC | LH8 |
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SHOW |