Ligand

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Ligand Name:   N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide
HET ID:   C7 PubChem:   146014938
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ONC(=O)CCc1ccccc1NC(=O)c1cccc(c1)C(F)(F)F
Standard InChI:   InChI=1S/C17H15F3N2O3/c18-17(19,20)13-6-3-5-12(10-13)16(24)21-14-7-2-1-4-11(14)8-9-15(23)22-25/h1-7,10,25H,8-9H2,(H,21,24)(H,22,23)
Molecular Formula:   C17H15F3N2O3 Mol. Weight:   352.3078 Heavy Atoms:   25
Charge:   0 Is Chiral:   False logP:   3.8596
HBD:   3 HBA:   5 TPSA:   78.43
#Bonds:   26 #Rotatable Bonds:   8 Shape Complexity:   0.1764706
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Histone deacetylase 8 Q9BY41 (HDAC8_HUMAN) Homo sapiens 6ODA
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