Ligand

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Ligand Name:   3-bromo-N-[3-(tert-butylamino)propyl]benzamide
HET ID:   3OO PubChem:   78673861
DrugBank:   - ChEMBL:   CHEMBL4172977
Canonical SMILES:   Brc1cccc(c1)C(=O)NCCCNC(C)(C)C
Standard InChI:   InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
Molecular Formula:   C14H21BrN2O Mol. Weight:   313.23334 Heavy Atoms:   18
Charge:   0 Is Chiral:   False logP:   3.7389
HBD:   2 HBA:   3 TPSA:   41.13
#Bonds:   18 #Rotatable Bonds:   7 Shape Complexity:   0.5
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 4RG2 Kd : 22000.0 nM, Kd : 29000.0 nM, Kd : 30000.0 nM BindingDB SHOW