Ligand Download |
||
Ligand Name: ~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline | ||
HET ID: S2Y | PubChem: 964317 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: COc1ccc(cc1)NCc1ccc(cc1)F | ||
Standard InChI: InChI=1S/C14H14FNO/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3 | ||
Molecular Formula: C14H14FNO | Mol. Weight: 231.26546 | Heavy Atoms: 17 |
Charge: 0 | Is Chiral: False | logP: 3.5194 |
HBD: 1 | HBA: 2 | TPSA: 21.26 |
#Bonds: 18 | #Rotatable Bonds: 4 | Shape Complexity: 0.14285715 |
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 | 5R5P |
- |
- |
SHOW |