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Target
B-cell CLL/lymphoma 9 protein
Ligand
BDBM50550545
Substrate
n/a
Meas. Tech.
ChEMBL_2027665 (CHEMBL4681823)
IC50
10000±n/a nM
Citation
 Zhang, M; Wang, Z; Zhang, Y; Guo, W; Ji, H Structure-Based Optimization of Small-Molecule Inhibitors for the ?-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction. J Med Chem 61:2989-3007 (2018) [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:
BDBM50550545
Synonyms:
CHEMBL4741350
Type:
Small organic molecule
Emp. Form.:
C34H39Cl2F4N3O3
Mol. Mass.:
684.591
SMILES:
Cl.Cl.Fc1ccc(cc1)-c1cc(NC(=O)c2ccc(O[C@H]3CCNC3)c(c2)C2CCC(CC2)C(F)(F)F)ccc1O[C@H]1CCNC1 |r,wD:20.18,41.43,(26.18,-21.34,;24.7,-5.28,;37.68,-19.65,;36.34,-18.89,;35.01,-19.66,;33.68,-18.89,;33.67,-17.35,;35,-16.58,;36.33,-17.34,;32.34,-16.59,;32.33,-15.05,;31,-14.29,;31,-12.75,;29.67,-11.98,;28.33,-12.75,;29.67,-10.44,;28.33,-9.66,;28.33,-8.12,;29.66,-7.35,;29.66,-5.81,;28.32,-5.04,;28.16,-3.51,;26.65,-3.19,;25.88,-4.53,;26.92,-5.67,;31,-8.11,;31,-9.66,;32.33,-7.34,;33.66,-8.11,;34.98,-7.34,;34.98,-5.81,;33.65,-5.04,;32.31,-5.81,;36.31,-5.04,;37.65,-5.81,;36.31,-3.49,;37.65,-4.25,;29.66,-15.05,;29.66,-16.59,;31,-17.36,;31,-18.91,;29.67,-19.68,;28.26,-19.06,;27.23,-20.21,;28,-21.54,;29.51,-21.22,)|
Structure:
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