Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T51191 | Target Info | |||
| Target Name | Histone deacetylase 2 (HDAC2) | ||||
| Synonyms | HD2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | HDAC2 | ||||
| Biochemical Class | Carbon-nitrogen hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 1-Methoxy-2-[2-(2-Methoxy-Ethoxy]-Ethane | Ligand Info | |||
| Canonical SMILES | COCCOCCOCCOC | ||||
| InChI | 1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3 | ||||
| InChIKey | YFNKIDBQEZZDLK-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 8189 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5IX0 HDAC2 WITH LIGAND BRD7232 | ||||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | No | [1] |
| PDB Sequence |
GGKKKVCYYY
20 DGDIGNYYYG30 QGHPMKPHRI40 RMTHNLLLNY50 GLYRKMEIYR60 PHKATAEEMT 70 KYHSDEYIKF80 LRSIRPDNMS90 EYSKQMQRFN100 VGEDCPVFDG110 LFEFCQLSTG 120 GSVAGAVKLN130 RQQTDMAVNW140 AGGLHHAKKS150 EASGFCYVND160 IVLAILELLK 170 YHQRVLYIDI180 DIHHGDGVEE190 AFYTTDRVMT200 VSFHKYGEYF210 PGTGDLRDIG 220 AGKGKYYAVN230 FPMRDGIDDE240 SYGQIFKPII250 SKVMEMYQPS260 AVVLQCGADS 270 LSGDRLGCFN280 LTVKGHAKCV290 EVVKTFNLPL300 LMLGGGGYTI310 RNVARCWTYE 320 TAVALDCEIP330 NELPYNDYFE340 YFGPDFKLHI350 SPSNMTNQNT360 PEYMEKIKQR 370 LFENLRMLP
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| PDB ID: 5IWG HDAC2 WITH LIGAND BRD4884 | ||||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [1] |
| PDB Sequence |
GKKKVCYYYD
21 GDIGNYYYGQ31 GHPMKPHRIR41 MTHNLLLNYG51 LYRKMEIYRP61 HKATAEEMTK 71 YHSDEYIKFL81 RSIRPDNMSE91 YSKQMQRFNV101 GEDCPVFDGL111 FEFCQLSTGG 121 SVAGAVKLNR131 QQTDMAVNWA141 GGLHHAKKSE151 ASGFCYVNDI161 VLAILELLKY 171 HQRVLYIDID181 IHHGDGVEEA191 FYTTDRVMTV201 SFHKYGEYFP211 GTGDLRDIGA 221 GKGKYYAVNF231 PMRDGIDDES241 YGQIFKPIIS251 KVMEMYQPSA261 VVLQCGADSL 271 SGDRLGCFNL281 TVKGHAKCVE291 VVKTFNLPLL301 MLGGGGYTIR311 NVARCWTYET 321 AVALDCEIPN331 ELPYNDYFEY341 FGPDFKLHIS351 PSNMTNQNTP361 EYMEKIKQRL 371 FENLRMLP
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors. Bioorg Med Chem. 2016 Sep 15;24(18):4008-4015. | ||||
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