Ligand

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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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