Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T83904 | Target Info | |||
| Target Name | NAD-dependent deacetylase sirtuin-2 (SIRT2) | ||||
| Synonyms | SIR2like protein 2; SIR2L2; SIR2L; SIR2-like protein 2; Regulatory protein SIR2 homolog 2; NADdependent protein deacetylase sirtuin2; NAD-dependent protein deacetylase sirtuin-2 | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | SIRT2 | ||||
| Biochemical Class | Carbon-nitrogen hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N-dodecylmethanethioamide | Ligand Info | |||
| Canonical SMILES | CCCCCCCCCCCCNC=S | ||||
| InChI | 1S/C13H27NS/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h13H,2-12H2,1H3,(H,14,15) | ||||
| InChIKey | BDXCOJKIHNDCOM-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 88723176 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7BOS Human SIRT2 in complex with myristoyl thiourea inhibitor, No.13 | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
ERLLDELTLE
65 GVARYMQSER75 CRRVICLVGA85 GISTSAGIPD95 FRSPYDNLEK109 YHLPYPEAIF 119 EISYFKKHPE129 PFFALAKELY139 PGQFKPTICH149 YFMRLLKDKG159 LLLRCYTQNI 169 DTLERIAGLE179 QEDLVEAHGT189 FYTSHCVSAS199 CRHEYPLSWM209 KEKIFSEVTP 219 KCEDCQSLVK229 PDIVFFGESL239 PARFFSCMQS249 DFLKVDLLLV259 MGTSLQVQPF 269 ASLISKAPLS279 TPRLLINKEK289 AGMDFDSKKA314 YRDVAWLGEC324 DQGCLALAEL 334 LGWKKELEDL344 VRREHASIDA354 Q
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| PDB ID: 7BOT Human SIRT2 in complex with myristoyl thiourea inhibitor, No.23 | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
ERLLDELTLE
65 GVARYMQSER75 CRRVICLVGA85 GISTSAGIPD95 FRSPYDNLEK109 LPYPEAIFEI 121 SYFKKHPEPF131 FALAKELYPG141 QFKPTICHYF151 MRLLKDKGLL161 LRCYTQNIDT 171 LERIAGLEQE181 DLVEAHGTFY191 TSHCVSASCR201 HEYPLSWMKE211 KIFSEVTPKC 221 EDCLVKPDIV233 FFGESLPARF243 FSCMQSDFLK253 VDLLLVMGTS263 LQVQPFASLI 273 SKAPLSTPRL283 LINKEKAGMD308 FDSKKAYRDV318 AWLGECDQGC328 LALAELLGWK 338 KELEDLVRRE348 HASIDAQ
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of Alpha-tubulin acetylation and inhibition of breast cancer cell migration. RSC Chem Biol. 2021 Jan 14;2(2):612-626. | ||||
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