Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T90985 | Target Info | |||
| Target Name | Bromodomain testis-specific protein (BRDT) | ||||
| Synonyms | Cancer/testis antigen 9; CT9 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | BRDT | ||||
| Biochemical Class | Bromodomain | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Volasertib | Ligand Info | |||
| Canonical SMILES | CCC1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)OC)C | ||||
| InChI | 1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25?,26?,28-/m1/s1 | ||||
| InChIKey | SXNJFOWDRLKDSF-XKHVUIRMSA-N | ||||
| PubChem Compound ID | 10461508 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7LEJ Crystal structure of the second bromodomain (BD2) of human BRDT bound to Volasertib | ||||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [1] |
| PDB Sequence |
AAYFQGAAST
266 VKVTEQLRHC276 SEILKEMLAK286 KHFSYAWPFY296 NPVDVNALGL306 HNYYDVVKNP 316 MDLGTIKEKM326 DNQEYKDAYK336 FAADVRLMFM346 NCYKYNPPDH356 EVVTMARMLQ 366 DVFETHFSKI376 P
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| PDB ID: 5VBR CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH Volasertib | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
GAASTNQLQY
34 LQKVVLKDLW44 KHSFSWPFQR54 PVDAVKLQLP64 DYYTIIKNPM74 DLNTIKKRLE 84 NKYYAKASEC94 IEDFNTMFSN104 CYLYNKPGDD114 IVLMAQALEK124 LFMQKLSQMP 134 QE
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J Med Chem. 2021 Nov 11;64(21):15772-15786. | ||||
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