Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T63816 | Target Info | |||
| Target Name | Histone deacetylase 4 (HDAC4) | ||||
| Synonyms | KIAA0288; HD4 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | HDAC4 | ||||
| Biochemical Class | Carbon-nitrogen hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N-Hydroxy-5-[(3-Phenyl-5,6-Dihydroimidazo[1,2-A]pyrazin-7(8h)-Yl)carbonyl]thiophene-2-Carboxamide | Ligand Info | |||
| Canonical SMILES | C1CN2C(=NC=C2C3=CC=CC=C3)CN1C(=O)C4=CC=C(S4)C(=O)NO | ||||
| InChI | 1S/C18H16N4O3S/c23-17(20-25)14-6-7-15(26-14)18(24)21-8-9-22-13(10-19-16(22)11-21)12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,20,23) | ||||
| InChIKey | SMSIXMLQOONOQQ-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 24836811 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2VQM Structure of HDAC4 catalytic domain bound to a hydroxamic acid inhbitor | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
PRFTTGLVYD
15 TLMLKHQCTC25 GHAGRIQSIW42 SRLQETGLRG52 KCECIRGRKA62 TLEELQTVHS 72 EAHTLLYGTN82 PLNRQKKLLG96 SLASVFVRLP106 CGGVGVDSDT116 IWNEVHSAGA 126 ARLAVGCVVE136 LVFKVATGEL146 KNGFAVVRPP156 GHHAEESTPM166 GFCYFNSVAV 176 AAKLLQQRLS186 VSKILIVDWD196 VHHGNGTQQA206 FYSDPSVLYM216 SLHRYDDGNF 226 FPGSGAPDEV236 GTGPGVGFNV246 NMAFTGGLDP256 PMGDAEYLAA266 FRTVVMPIAS 276 EFAPDVVLVS286 SGFDAVEGHP296 TPLGGYNLSA306 RCFGYLTKQL316 MGLAGGRIVL 326 ALEGGHDLTA336 ICDASEACVS346 ALLGNELDPL356 PEKVLQQRPN366 ANAVRSMEKV 376 MEIHSKYWRC386 LQRTTSTAGR396 SLIEAQTCEN406 E
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| PDB ID: 2VQV Structure of HDAC4 catalytic domain with a gain-of-function mutation bound to a hydroxamic acid inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | Yes | [1] |
| PDB Sequence |
RFTTGLVYDT
16 LMLKHAGRIQ39 SIWSRLQETG49 LRGKCEAIRG59 RKATLEELQT69 VHSEAHTLLY 79 GTNPDTIWNE120 VHSAGAARLA130 VGCVVELVFK140 VATGELKNGF150 AVVRPPGHHA 160 EESTPMGFCY170 FNSVAVAAKL180 LQQRLSVSKI190 LIVDWDVHHG200 NGTQQAFYSD 210 PSVLYMSLHR220 YDDGNFFPGS230 GAPDEVGTGP240 GVGFNVNMAF250 TGGLDPPMGD 260 AEYLAAFRTV270 VMPIASEFAP280 DVVLVSSGFD290 AVEGHPTPLG300 GYNLSARCFG 310 YLTKQLMGLA320 GGRIVLALEG330 GYDLTAICDA340 SEACVSALLG350 NELDPLPEKV 360 LQQRPNANAV370 RSMEKVMEIH380 SKYWRCLQRT390 TSTAGRSLIE400 AQTCE |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural and functional analysis of the human HDAC4 catalytic domain reveals a regulatory structural zinc-binding domain. J Biol Chem. 2008 Sep 26;283(39):26694-704. | ||||
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