Ligand

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Ligand Name:   N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide
HET ID:   K6S PubChem:   91970648
DrugBank:   - ChEMBL:   CHEMBL4170666
Canonical SMILES:   O=C(c1cccc(c1)C(C)C)NCCCNC(C)(C)C
Standard InChI:   InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)
Molecular Formula:   C17H28N2O Mol. Weight:   276.41702 Heavy Atoms:   20
Charge:   0 Is Chiral:   False logP:   4.0998
HBD:   2 HBA:   3 TPSA:   41.13
#Bonds:   20 #Rotatable Bonds:   8 Shape Complexity:   0.5882353
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 6MXZ IC50 : 14000.0 nM BindingDB SHOW