Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T43548 | Target Info | |||
| Target Name | B-cell lymphoma 6 protein (BCL-6) | ||||
| Synonyms | Zinc finger protein 51; Zinc finger and BTB domain-containing protein 27; ZNF51; ZBTB27; Protein LAZ-3; LAZ3; BCL5; BCL-6; BCL-5; B-cell lymphoma 5 protein | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | BCL6 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide | Ligand Info | |||
| Canonical SMILES | CC(C(=O)NC)NC1=CC(=O)NC2=C1C=C(C=C2)NC3=C(C(=NC=C3)Cl)C#N | ||||
| InChI | 1S/C19H17ClN6O2/c1-10(19(28)22-2)24-16-8-17(27)26-14-4-3-11(7-12(14)16)25-15-5-6-23-18(20)13(15)9-21/h3-8,10H,1-2H3,(H,22,28)(H,23,25)(H2,24,26,27)/t10-/m1/s1 | ||||
| InChIKey | CWFHDWACYRWCLF-SNVBAGLBSA-N | ||||
| PubChem Compound ID | 142478375 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7OKJ Crystal structure of human BCL6 BTB domain in complex with compound 12c and its enantiomer 12b | ||||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [1] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
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| PDB ID: 7OKI Crystal structure of human BCL6 BTB domain in complex with compound 12b | ||||||
| Method | X-ray diffraction | Resolution | 1.61 Å | Mutation | No | [1] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. J Med Chem. 2021 Dec 9;64(23):17079-17097. | ||||
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