Ligand

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Ligand Name:   [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine
HET ID:   EJE PubChem:   138115329
DrugBank:   - ChEMBL:   -
Canonical SMILES:   NCc1cc(C)c(c(c1)C)c1ncn(c1c1ccnc2c1ccc(c2)F)C
Standard InChI:   InChI=1S/C22H21FN4/c1-13-8-15(11-24)9-14(2)20(13)21-22(27(3)12-26-21)18-6-7-25-19-10-16(23)4-5-17(18)19/h4-10,12H,11,24H2,1-3H3
Molecular Formula:   C22H21FN4 Mol. Weight:   360.42734 Heavy Atoms:   27
Charge:   0 Is Chiral:   False logP:   5.2172
HBD:   1 HBA:   4 TPSA:   56.73
#Bonds:   30 #Rotatable Bonds:   3 Shape Complexity:   0.18181819
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Histone-lysine N-methyltransferase NSD3 Q9BZ95 (NSD3_HUMAN) Homo sapiens 6G2O
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