Target
MLL1-WRAD2 complex
Ligand
BDBM552933
Substrate
n/a
Meas. Tech.
MLL1 WRAD2 Enzyme Assay
IC50
2710±n/a nM
Citation
 Al-Awar, RZepeda-Velazquez, CAPoda, GIsaac, MUehling, DWilson, BJoseph, BLiu, YSubramanian, PMamai, APrakesch, MStille, JK Substituted carboxamides as inhibitors of WDR5 protein-protein binding US Patent  US11319299 Publication Date 5/3/2022 
Target
Name:
MLL1-WRAD2 complex
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 0 components.
Component 1
Name:
Histone-lysine N-methyltransferase 2A [3745-3969]
Synonyms:
ALL1 | CXXC7 | HRX | HTRX | KMT2A | KMT2A_HUMAN | MLL | MLL1 | Myeloid/lymphoid or mixed-lineage leukemia (MLL) (aa 3745-3969) | TRX1
Type:
Protein
Mol. Mass.:
26080.01
Organism:
Homo sapiens (Human)
Description:
Q03164[3745-3969]
Residue:
225
Sequence:
FRFHKPEEANEPPLNPHGSARAEVHLRKSAFDMFNFLASKHRQPPEYNPNDEEEEEVQLKSARRATSMDLPMPMRFRHLKKTSKEAVGVYRSPIHGRGLFCKRNIDAGEMVIEYAGNVIRSIQTDKREKYYDSKGIGCYMFRIDDSEVVDATMHGNAARFINHSCEPNCYSRVINIDGQKHIVIFAMRKIYRGEELTYDYKFPIEDASNKLPCNCGAKKCRKFLN
  
Component 2
Name:
F-box/WD repeat-containing protein 5 [21-334]
Synonyms:
FBW5 | FBXW5 | FBXW5_HUMAN
Type:
Protein
Mol. Mass.:
35264.76
Organism:
Human
Description:
Q969U6[21-334]
Residue:
313
Sequence:
GPADVLAAGLVCRQWQAVSRDEFLWREQFYRYYQVARDVPRHPAAMSWYEEFQRLYDTVPCVEVQTLREHTDQVLHLSFSHSGYQFASCSKDCTVKIWSNDLTISLLHSADMRPYNWSYTQFSQFNKDDSLLLASGVFLGPHNSSSGEIAVISLDSFALLSRVRNKPYDVFGCWLTETSLISGNLHRIGDITSCSVLWLNNAFQDVESENVNVVKRLFKIQNLNASTVRTVMVADCSRFDSPDLLLEAGDPATSPCRIFDLGSDNEEVVAGPAPAHAKEGLRHFLDRVLEGRAQPQLSERMLETKVAELLAQG
  
Component 3
Name:
Retinoblastoma-binding protein 5
Synonyms:
RBBP5 | RBBP5_HUMAN | RBQ3 | Retinoblastoma-binding protein 5 (RBBP5)
Type:
Protein
Mol. Mass.:
59133.29
Organism:
Homo sapiens (Human)
Description:
Q15291
Residue:
538
Sequence:
MNLELLESFGQNYPEEADGTLDCISMALTCTFNRWGTLLAVGCNDGRIVIWDFLTRGIAKIISAHIHPVCSLCWSRDGHKLVSASTDNIVSQWDVLSGDCDQRFRFPSPILKVQYHPRDQNKVLVCPMKSAPVMLTLSDSKHVVLPVDDDSDLNVVASFDRRGEYIYTGNAKGKILVLKTDSQDLVASFRVTTGTSNTTAIKSIEFARKGSCFLINTADRIIRVYDGREILTCGRDGEPEPMQKLQDLVNRTPWKKCCFSGDGEYIVAGSARQHALYIWEKSIGNLVKILHGTRGELLLDVAWHPVRPIIASISSGVVSIWAQNQVENWSAFAPDFKELDENVEYEERESEFDIEDEDKSEPEQTGADAAEDEEVDVTSVDPIAAFCSSDEELEDSKALLYLPIAPEVEDPEENPYGPPPDAVQTSLMDEGASSEKKRQSSADGSQPPKKKPKTTNIELQGVPNDEVHPLLGVKGDGKSKKKQAGRPKGSKGKEKDSPFKPKLYKGDRGLPLEGSAKGKVQAELSQPLTAGGAISELL
  
Component 4
Name:
Set1/Ash2 histone methyltransferase complex subunit ASH2 [96-628]
Synonyms:
ASH2L | ASH2L1 | ASH2L_HUMAN | Ash2-like protein (ASH2L) [96-628]
Type:
Protein
Mol. Mass.:
60080.49
Organism:
Homo sapiens (Human)
Description:
Q9UBL3[96-628]
Residue:
533
Sequence:
DTQAGSVDEENGRQLGEVELQCGICTKWFTADTFGIDTSSCLPFMTNYSFHCNVCHHSGNTYFLRKQANLKEMCLSALANLTWQSRTQDEHPKTMFSKDKDIIPFIDKYWECMTTRQRPGKMTWPNNIVKTMSKERDVFLVKEHPDPGSKDPEEDYPKFGLLDQDLSNIGPAYDNQKQSSAVSTSGNLNGGIAAGSSGKGRGAKRKQQDGGTTGTTKKARSDPLFSAQRLPPHGYPLEHPFNKDGYRYILAEPDPHAPDPEKLELDCWAGKPIPGDLYRACLYERVLLALHDRAPQLKISDDRLTVVGEKGYSMVRASHGVRKGAWYFEITVDEMPPDTAARLGWSQPLGNLQAPLGYDKFSYSWRSKKGTKFHQSIGKHYSSGYGQGDVLGFYINLPEDTETAKSLPDTYKDKALIKFKSYLYFEEKDFVDKAEKSLKQTPHSEIIFYKNGVNQGVAYKDIFEGVYFPAISLYKSCTVSINFGPCFKYPPKDLTYRPMSDMGWGAVVEHTLADVLYHVETEVDGRRSPPWEP
  
Component 5
Name:
Protein dpy-30 homolog
Synonyms:
DPY30 | DPY30_HUMAN | Dpy-30-like protein | Dpy-30L
Type:
Protein
Mol. Mass.:
11245.04
Organism:
Human
Description:
Q9C005
Residue:
99
Sequence:
MEPEQMLEGQTQVAENPHSEYGLTDNVERIVENEKINAEKSSKQKVDLQSLPTRAYLDQTVVPILLQGLAVLAKERPPNPIEFLASYLLKNKAQFEDRN
  
Inhibitor
Name:
BDBM552933
Synonyms:
N-[4-fluoro-2-(4- methylpiperazin-1-yl)-5- [3-(morpholin-4- ylmethyl)phenyl]phenyl]- 6-oxo-4-(trifluoromethyl)- 1H-pyridine-3-carboxamide | US11319299, Comp. No. 2 | US11319299, Example 2
Type:
Small organic molecule
Emp. Form.:
C29H31F4N5O3
Mol. Mass.:
573.5818
SMILES:
CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1
Structure:
Search PDB for entries with ligand similarity: