Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T46216 | Target Info | |||
| Target Name | Bromodomain-containing protein 9 (BRD9) | ||||
| Synonyms | Rhabdomyosarcoma antigen MU-RMS-40.8 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | BRD9 | ||||
| Biochemical Class | Bromodomain | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 3-(6-Acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide | Ligand Info | |||
| Canonical SMILES | CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=C4N=CC=CN4C(=C3)C(=O)C | ||||
| InChI | 1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25) | ||||
| InChIKey | RPBMXJHQYJLPDN-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 123773279 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6V14 Crystal structure of the bromodomain of human BRD9 bound to TP472 | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
STPIQQLLEH
147 FLRQLQRKDP157 HGFFAFPVTD167 AIAPGYSMII177 KHPMDFGTMK187 DKIVANEYKS 197 VTEFKADFKL207 MCDNAMTYNR217 PDTVYYKLAK227 KILHAGFKMM237 SK |
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| PDB ID: 6Y7L Structure of the BRD9 bromodomain and TP-472 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [2] |
| PDB Sequence |
ESTPIQQLLE
146 HFLRQLQRKD156 PHGFFAFPVT166 DAIAPGYSMI176 IKHPMDFGTM186 KDKIVANEYK 196 SVTEFKADFK206 LMCDNAMTYN216 RPDTVYYKLA226 KKILHAGFKM236 MSKERLLALK 246 RSM
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J Med Chem. 2020 Mar 26;63(6):3227-3237. | ||||
| REF 2 | Structure of the BRD9 bromodomain and compound 2 | ||||
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