Ligand

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Ligand Name:   4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide
HET ID:   TWM PubChem:   137634156
DrugBank:   - ChEMBL:   CHEMBL4066920
Canonical SMILES:   ONC(=O)c1ccc(cc1)Cn1cc(c2c1cccc2)CN(C)C
Standard InChI:   InChI=1S/C19H21N3O2/c1-21(2)12-16-13-22(18-6-4-3-5-17(16)18)11-14-7-9-15(10-8-14)19(23)20-24/h3-10,13,24H,11-12H2,1-2H3,(H,20,23)
Molecular Formula:   C19H21N3O2 Mol. Weight:   323.38895 Heavy Atoms:   24
Charge:   0 Is Chiral:   False logP:   3.2611
HBD:   2 HBA:   5 TPSA:   57.5
#Bonds:   26 #Rotatable Bonds:   6 Shape Complexity:   0.21052632
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Polyamine deacetylase HDAC10 F1QCV2 (HDA10_DANRE) Danio rerio 6WDV
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