Ligand

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Ligand Name:   N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide
HET ID:   P5Y PubChem:   146680839
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ONC(=O)c1ccc(cc1)CN(C(=O)c1ccccc1C(F)(F)F)Cc1nnnn1Cc1ccccc1
Standard InChI:   InChI=1S/C25H21F3N6O3/c26-25(27,28)21-9-5-4-8-20(21)24(36)33(14-18-10-12-19(13-11-18)23(35)30-37)16-22-29-31-32-34(22)15-17-6-2-1-3-7-17/h1-13,37H,14-16H2,(H,30,35)
Molecular Formula:   C25H21F3N6O3 Mol. Weight:   510.46783 Heavy Atoms:   37
Charge:   0 Is Chiral:   False logP:   4.0927
HBD:   2 HBA:   9 TPSA:   113.24
#Bonds:   40 #Rotatable Bonds:   11 Shape Complexity:   0.16
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Hdac6 protein A7YT55 (A7YT55_DANRE) Danio rerio 6PYE
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