Ligand

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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
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