Ligand Download |
||
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 |