Ligand |
||
Ligand Name: 2-(3-chloro-2-fluorophenyl)-2,3-dihydro-1,2-thiazol-3-one | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB469 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: Fc1c(Cl)cccc1NC(=O)CCS | ||
Standard InChI: InChI=1S/C9H9ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14/h1-3,14H,4-5H2,(H,12,13) | ||
Molecular Formula: C9H9ClFNOS | Mol. Weight: 233.00774 | logP: 2.7375 |
HBD: 2 | HBA: 2 | |
#Rotatable Bonds: 3 | TPSA: 29.1 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Aurora kinase A | O14965 (AURKA_HUMAN) | Homo sapiens (Human) | 5ORL | A4W | Kd : 15000 nM | PDBBind | SHOW |