Ligand

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Ligand Name:   Resminostat
HET ID:   P7D PubChem:   11609955
DrugBank:   DB12392 ChEMBL:   CHEMBL4296717
Canonical SMILES:   ONC(=O)/C=C/c1ccn(c1)S(=O)(=O)c1ccc(cc1)CN(C)C
Standard InChI:   InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+
Molecular Formula:   C16H19N3O4S Mol. Weight:   349.40475 Heavy Atoms:   24
Charge:   0 Is Chiral:   False logP:   2.777
HBD:   2 HBA:   7 TPSA:   100.02
#Bonds:   25 #Rotatable Bonds:   7 Shape Complexity:   0.1875
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Histone deacetylase 6 F8W4B7 (F8W4B7_DANRE) Danio rerio 6PZR
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