Ligand

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Ligand Name:   N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide
HET ID:   K6M PubChem:   91970649
DrugBank:   - ChEMBL:   CHEMBL4164098
Canonical SMILES:   O=C(c1cccc(c1)C(F)(F)F)NCCCNC(C)(C)C
Standard InChI:   InChI=1S/C15H21F3N2O/c1-14(2,3)20-9-5-8-19-13(21)11-6-4-7-12(10-11)15(16,17)18/h4,6-7,10,20H,5,8-9H2,1-3H3,(H,19,21)
Molecular Formula:   C15H21F3N2O Mol. Weight:   302.33524 Heavy Atoms:   21
Charge:   0 Is Chiral:   False logP:   3.9952
HBD:   2 HBA:   3 TPSA:   41.13
#Bonds:   21 #Rotatable Bonds:   8 Shape Complexity:   0.53333336
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
TP53-binding protein 1 Q12888 (TP53B_HUMAN) Homo sapiens 6MXY IC50 : 22000.0 nM BindingDB SHOW