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Target
B-cell CLL/lymphoma 9 protein
Ligand
BDBM50501081
Substrate
n/a
Meas. Tech.
ChEMBL_1586628 (CHEMBL3821983)
Ki
16000±n/a nM
Citation
 Wisniewski, JA; Yin, J; Teuscher, KB; Zhang, M; Ji, H Structure-Based Design of 1,4-Dibenzoylpiperazines as ?-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction Inhibitors. ACS Med Chem Lett 7:508-13 (2016) [PubMed]  Article 
Target
Name:
B-cell CLL/lymphoma 9 protein
Synonyms:
B-cell CLL/lymphoma 9 protein | B-cell lymphoma 9 protein | BCL9 | BCL9_HUMAN | Bcl-9 | Protein legless homolog
Type:
PROTEIN
Mol. Mass.:
149313.19
Organism:
Homo sapiens
Description:
ChEMBL_117069
Residue:
1426
Sequence:
MHSSNPKVRSSPSGNTQSSPKSKQEVMVRPPTVMSPSGNPQLDSKFSNQGKQGGSASQSQPSPCDSKSGGHTPKALPGPGGSMGLKNGAGNGAKGKGKRERSISADSFDQRDPGTPNDDSDIKECNSADHIKSQDSQHTPHSMTPSNATAPRSSTPSHGQTTATEPTPAQKTPAKVVYVFSTEMANKAAEAVLKGQVETIVSFHIQNISNNKTERSTAPLNTQISALRNDPKPLPQQPPAPANQDQNSSQNTRLQPTPPIPAPAPKPAAPPRPLDRESPGVENKLIPSVGSPASSTPLPPDGTGPNSTPNNRAVTPVSQGSNSSSADPKAPPPPPVSSGEPPTLGENPDGLSQEQLEHRERSLQTLRDIQRMLFPDEKEFTGAQSGGPQQNPGVLDGPQKKPEGPIQAMMAQSQSLGKGPGPRTDVGAPFGPQGHRDVPFSPDEMVPPSMNSQSGTIGPDHLDHMTPEQIAWLKLQQEFYEEKRRKQEQVVVQQCSLQDMMVHQHGPRGVVRGPPPPYQMTPSEGWAPGGTEPFSDGINMPHSLPPRGMAPHPNMPGSQMRLPGFAGMINSEMEGPNVPNPASRPGLSGVSWPDDVPKIPDGRNFPPGQGIFSGPGRGERFPNPQGLSEEMFQQQLAEKQLGLPPGMAMEGIRPSMEMNRMIPGSQRHMEPGNNPIFPRIPVEGPLSPSRGDFPKGIPPQMGPGRELEFGMVPSGMKGDVNLNVNMGSNSQMIPQKMREAGAGPEEMLKLRPGGSDMLPAQQKMVPLPFGEHPQQEYGMGPRPFLPMSQGPGSNSGLRNLREPIGPDQRTNSRLSHMPPLPLNPSSNPTSLNTAPPVQRGLGRKPLDISVAGSQVHSPGINPLKSPTMHQVQSPMLGSPSGNLKSPQTPSQLAGMLAGPAAAASIKSPPVLGSAAASPVHLKSPSLPAPSPGWTSSPKPPLQSPGIPPNHKAPLTMASPAMLGNVESGGPPPPTASQPASVNIPGSLPSSTPYTMPPEPTLSQNPLSIMMSRMSKFAMPSSTPLYHDAIKTVASSDDDSPPARSPNLPSMNNMPGMGINTQNPRISGPNPVVPMPTLSPMGMTQPLSHSNQMPSPNAVGPNIPPHGVPMGPGLMSHNPIMGHGSQEPPMVPQGRMGFPQGFPPVQSPPQQVPFPHNGPSGGQGSFPGGMGFPGEGPLGRPSNLPQSSADAALCKPGGPGGPDSFTVLGNSMPSVFTDPDLQEVIRPGATGIPEFDLSRIIPSEKPSQTLQYFPRGEVPGRKQPQGPGPGFSHMQGMMGEQAPRMGLALPGMGGPGPVGTPDIPLGTAPSMPGHNPMRPPAFLQQGMMGPHHRMMSPAQSTMPGQPTLMSNPAAAVGMIPGKDRGPAGLYTHPGPVGSPGMMMSMQGMMGPQQNIMIPPQMRPRGMAADVGMGGFSQGPGNPGNMMF
  
Inhibitor
Name:
BDBM50501081
Synonyms:
CHEMBL3819020
Type:
Small organic molecule
Emp. Form.:
C33H43Cl2F4N5O3
Mol. Mass.:
704.626
SMILES:
Cl.Cl.Fc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCC(CC1)C(F)(F)F)N1CCNCC1 |r,wD:24.23,(6.32,1.36,;8.89,1.36,;-7.99,1.82,;-8,3.05,;-9.34,3.81,;-9.35,5.35,;-8.02,6.13,;-6.68,5.37,;-6.67,3.83,;-5.35,6.14,;-5.36,7.38,;-4.01,5.38,;-2.68,6.15,;-1.34,5.39,;-1.34,3.85,;-2.67,3.07,;-4.01,3.84,;-0,3.08,;1.06,3.7,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;-1.33,-.77,;-1.33,.77,;-2.67,-1.54,;-4,-.77,;-5.34,-1.54,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-6.67,-3.86,;-7.73,-3.24,;-6.66,-5.09,;-7.73,-4.48,;-10.69,6.11,;-10.7,7.65,;-12.04,8.41,;-13.37,7.63,;-13.36,6.09,;-12.01,5.33,)|
Structure:
Search PDB for entries with ligand similarity: