Structure of PDB 8g20 Chain B Binding Site BS01

Receptor Information
>8g20 Chain B (length=354) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPITGLVYDQRMMLHHNMWDSHHPELPQRISRIFSRHEELRLLSRCHRIP
ARLATEEELALCHSSKHISIIKSSEHMKPRDLNRLGDEYNSIFISNESYT
CALLAAGSCFNSAQAILTGQVRNAVAIVRPPGHHAEKDTACGFCFFNTAA
LTARYAQSITRESLRVLIVDWDVHHGNGTQHIFEEDDSVLYISLHRYEDG
AFFPNSEDANYDKVGLGKGRGYNVNIPWNGKMGDPEYMAAFHHLVMPIAR
EFAPELVLVSAGFDAARGDPLGGFQVTPEGYAHLTHQLMSLAAGRVLIIL
EGGYNLTSISESMSMCTSMLLGDSPPSLTPLKTSATVSINNVLRAHAPFW
SSLR
Ligand information
Ligand IDYJ5
InChIInChI=1S/C17H26N2O3/c1-3-5-7-16(20)19(12-6-4-2)13-14-8-10-15(11-9-14)17(21)18-22/h8-11,22H,3-7,12-13H2,1-2H3,(H,18,21)
InChIKeyRUZXVBRXLWFADZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)CCCC
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CCCCC(=O)N(CCCC)Cc1ccc(cc1)C(=O)NO
FormulaC17 H26 N2 O3
Name4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide
ChEMBL
DrugBank
ZINC
PDB chain8g20 Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8g20 Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
Resolution1.766 Å
Binding residue
(original residue number in PDB)		T777 V781 N784
Binding residue
(residue number reindexed from 1)		T333 V337 N340
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links