Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
BCL6_HUMAN
Ligand General Information  Top
Ligand Name 2-[6-[[5-Chloranyl-2-[(3~{s},5~{r})-3,5-Dimethylpiperidin-1-Yl]pyrimidin-4-Yl]amino]-1-Methyl-2-Oxidanylidene-Quinolin-3-Yl]oxy-~{n}-Methyl-Ethanamide Ligand Info
Canonical SMILES CC1CC(CN(C1)C2=NC=C(C(=N2)NC3=CC4=C(C=C3)N(C(=O)C(=C4)OCC(=O)NC)C)Cl)C
InChI 1S/C24H29ClN6O3/c1-14-7-15(2)12-31(11-14)24-27-10-18(25)22(29-24)28-17-5-6-19-16(8-17)9-20(23(33)30(19)4)34-13-21(32)26-3/h5-6,8-10,14-15H,7,11-13H2,1-4H3,(H,26,32)(H,27,28,29)/t14-,15+
InChIKey GXTJETQFYHZHNB-GASCZTMLSA-N
PubChem Compound ID 131632978
Drug Binding Sites of Target  Top
PDB ID: 6XMX      Cryo-EM structure of BCL6 bound to BI-3802
Method Electron microscopy Resolution 3.70 Å Mutation Yes [1]
PDB Sequence
SCIQFTRHAS
16
DVLLNLNRLR
26
SRDILTDVVI
36
VVSREQFRAH
46
KTVLMACSGL
56

FYSIFTDQLK
66
CNLSVINLDP
76
EINPEGFCIL
86
LDFMYTSRLN
96
LREGNIMAVM
106

ATAMYLQMEH
116
VVDTCRKFIK
126
AS
Residue
Distance (Å)
THR48
4.763
LEU50
4.856
MET51
1.524
ALA52
2.588
CYS53
2.689
SER54
3.780
GLY55
2.256
LEU56
4.851
Residue
Distance (Å)
TYR58
2.268
SER59
4.775
PHE89
2.641
GLN113
2.619
MET114
3.004
GLU115
2.360
HIS116
2.112
VAL117
2.836
PDB ID: 5MW2      CRYSTAL STRUCTURE OF BCL-6 BTB-domain with BI-3802
Method X-ray diffraction Resolution 2.35 Å Mutation No [2]
PDB Sequence
SQIQFTRHAS
16
DVLLNLNRLR
26
SRDILTDVVI
36
VVSREQFRAH
46
KTVLMACSGL
56

FYSIFTDQLK
66
RNLSVINLDP
76
EINPEGFNIL
86
LDFMYTSRLN
96
LREGNIMAVM
106

ATAMYLQMEH
116
VVDTCRKFIK
126
AS
Residue
Distance (Å)
MET51
2.921
ALA52
3.572
CYS53
3.294
SER54
4.178
GLY55
3.613
TYR58
3.480
Residue
Distance (Å)
PHE89
3.478
GLN113
3.016
MET114
3.589
GLU115
2.819
HIS116
3.599
VAL117
3.438
References  Top
REF 1 Small-molecule-induced polymerization triggers degradation of BCL6. Nature. 2020 Dec;588(7836):164-168.
REF 2 Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6. Cell Rep. 2017 Sep 19;20(12):2860-2875.

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