Ligand

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Ligand Name:   {4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone
HET ID:   QXY PubChem:   49091502
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCN1CCN(CC1)C(=O)c1ccc(cc1)Cn1nc(cc1C)C
Standard InChI:   InChI=1S/C19H26N4O/c1-4-21-9-11-22(12-10-21)19(24)18-7-5-17(6-8-18)14-23-16(3)13-15(2)20-23/h5-8,13H,4,9-12,14H2,1-3H3
Molecular Formula:   C19H26N4O Mol. Weight:   326.43594 Heavy Atoms:   24
Charge:   0 Is Chiral:   False logP:   2.2017
HBD:   0 HBA:   5 TPSA:   41.37
#Bonds:   26 #Rotatable Bonds:   5 Shape Complexity:   0.47368422
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 6VIP
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