Ligand

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Ligand Name:   2-(4-methylpiperazin-1-yl)aniline
HET ID:   QSS PubChem:   286547
DrugBank:   - ChEMBL:   CHEMBL1879790
Canonical SMILES:   CN1CCN(CC1)c1ccccc1N
Standard InChI:   InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3
Molecular Formula:   C11H17N3 Mol. Weight:   191.27278 Heavy Atoms:   14
Charge:   0 Is Chiral:   False logP:   1.6047
HBD:   1 HBA:   3 TPSA:   32.5
#Bonds:   15 #Rotatable Bonds:   1 Shape Complexity:   0.45454547
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 6VA5
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