Ligand Download |
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Ligand Name: (1-methylpiperidin-4-yl) 3-fluoranylbenzoate | ||
HET ID: S2V | PubChem: 714836 | |
DrugBank: - | ChEMBL: CHEMBL37159 | |
Canonical SMILES: CN1CCC(CC1)OC(=O)c1cccc(c1)F | ||
Standard InChI: InChI=1S/C13H16FNO2/c1-15-7-5-12(6-8-15)17-13(16)10-3-2-4-11(14)9-10/h2-4,9,12H,5-8H2,1H3 | ||
Molecular Formula: C13H16FNO2 | Mol. Weight: 237.27005 | Heavy Atoms: 17 |
Charge: 0 | Is Chiral: False | logP: 2.0146 |
HBD: 0 | HBA: 3 | TPSA: 29.54 |
#Bonds: 18 | #Rotatable Bonds: 3 | Shape Complexity: 0.46153846 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Uridine diphosphate glucose pyrophosphatase NUDT22 | Q9BRQ3 (NUD22_HUMAN) | Homo sapiens | 5R5M |
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