| Reaction Details |
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 | Report a problem with these data |
| Target | MLL1-WRAD2 complex |
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| Ligand | BDBM552982 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | MLL1 WRAD2 Enzyme Assay |
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| IC50 | 111±n/a nM |
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| Citation |  Al-Awar, R; Zepeda-Velazquez, CA; Poda, G; Isaac, M; Uehling, D; Wilson, B; Joseph, B; Liu, Y; Subramanian, P; Mamai, A; Prakesch, M; Stille, JK Substituted carboxamides as inhibitors of WDR5 protein-protein binding US Patent US11319299 Publication Date 5/3/2022 |
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| More Info.: | Get all data from this article, Assay Method |
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| MLL1-WRAD2 complex |
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| Name: | MLL1-WRAD2 complex |
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| Synonyms: | n/a |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 0 components. |
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| Component 1 |
| Name: | Histone-lysine N-methyltransferase 2A [3745-3969] |
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| Synonyms: | ALL1 | CXXC7 | HRX | HTRX | KMT2A | KMT2A_HUMAN | MLL | MLL1 | Myeloid/lymphoid or mixed-lineage leukemia (MLL) (aa 3745-3969) | TRX1 |
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| Type: | Protein |
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| Mol. Mass.: | 26080.01 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q03164[3745-3969] |
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| Residue: | 225 |
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| Sequence: | FRFHKPEEANEPPLNPHGSARAEVHLRKSAFDMFNFLASKHRQPPEYNPNDEEEEEVQLK
SARRATSMDLPMPMRFRHLKKTSKEAVGVYRSPIHGRGLFCKRNIDAGEMVIEYAGNVIR
SIQTDKREKYYDSKGIGCYMFRIDDSEVVDATMHGNAARFINHSCEPNCYSRVINIDGQK
HIVIFAMRKIYRGEELTYDYKFPIEDASNKLPCNCGAKKCRKFLN
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| Component 2 |
| Name: | F-box/WD repeat-containing protein 5 [21-334] |
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| Synonyms: | FBW5 | FBXW5 | FBXW5_HUMAN |
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| Type: | Protein |
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| Mol. Mass.: | 35264.76 |
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| Organism: | Human |
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| Description: | Q969U6[21-334] |
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| Residue: | 313 |
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| Sequence: | GPADVLAAGLVCRQWQAVSRDEFLWREQFYRYYQVARDVPRHPAAMSWYEEFQRLYDTVP
CVEVQTLREHTDQVLHLSFSHSGYQFASCSKDCTVKIWSNDLTISLLHSADMRPYNWSYT
QFSQFNKDDSLLLASGVFLGPHNSSSGEIAVISLDSFALLSRVRNKPYDVFGCWLTETSL
ISGNLHRIGDITSCSVLWLNNAFQDVESENVNVVKRLFKIQNLNASTVRTVMVADCSRFD
SPDLLLEAGDPATSPCRIFDLGSDNEEVVAGPAPAHAKEGLRHFLDRVLEGRAQPQLSER
MLETKVAELLAQG
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| Component 3 |
| Name: | Retinoblastoma-binding protein 5 |
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| Synonyms: | RBBP5 | RBBP5_HUMAN | RBQ3 | Retinoblastoma-binding protein 5 (RBBP5) |
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| Type: | Protein |
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| Mol. Mass.: | 59133.29 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q15291 |
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| Residue: | 538 |
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| Sequence: | MNLELLESFGQNYPEEADGTLDCISMALTCTFNRWGTLLAVGCNDGRIVIWDFLTRGIAK
IISAHIHPVCSLCWSRDGHKLVSASTDNIVSQWDVLSGDCDQRFRFPSPILKVQYHPRDQ
NKVLVCPMKSAPVMLTLSDSKHVVLPVDDDSDLNVVASFDRRGEYIYTGNAKGKILVLKT
DSQDLVASFRVTTGTSNTTAIKSIEFARKGSCFLINTADRIIRVYDGREILTCGRDGEPE
PMQKLQDLVNRTPWKKCCFSGDGEYIVAGSARQHALYIWEKSIGNLVKILHGTRGELLLD
VAWHPVRPIIASISSGVVSIWAQNQVENWSAFAPDFKELDENVEYEERESEFDIEDEDKS
EPEQTGADAAEDEEVDVTSVDPIAAFCSSDEELEDSKALLYLPIAPEVEDPEENPYGPPP
DAVQTSLMDEGASSEKKRQSSADGSQPPKKKPKTTNIELQGVPNDEVHPLLGVKGDGKSK
KKQAGRPKGSKGKEKDSPFKPKLYKGDRGLPLEGSAKGKVQAELSQPLTAGGAISELL
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| Component 4 |
| Name: | Set1/Ash2 histone methyltransferase complex subunit ASH2 [96-628] |
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| Synonyms: | ASH2L | ASH2L1 | ASH2L_HUMAN | Ash2-like protein (ASH2L) [96-628] |
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| Type: | Protein |
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| Mol. Mass.: | 60080.49 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9UBL3[96-628] |
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| Residue: | 533 |
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| Sequence: | DTQAGSVDEENGRQLGEVELQCGICTKWFTADTFGIDTSSCLPFMTNYSFHCNVCHHSGN
TYFLRKQANLKEMCLSALANLTWQSRTQDEHPKTMFSKDKDIIPFIDKYWECMTTRQRPG
KMTWPNNIVKTMSKERDVFLVKEHPDPGSKDPEEDYPKFGLLDQDLSNIGPAYDNQKQSS
AVSTSGNLNGGIAAGSSGKGRGAKRKQQDGGTTGTTKKARSDPLFSAQRLPPHGYPLEHP
FNKDGYRYILAEPDPHAPDPEKLELDCWAGKPIPGDLYRACLYERVLLALHDRAPQLKIS
DDRLTVVGEKGYSMVRASHGVRKGAWYFEITVDEMPPDTAARLGWSQPLGNLQAPLGYDK
FSYSWRSKKGTKFHQSIGKHYSSGYGQGDVLGFYINLPEDTETAKSLPDTYKDKALIKFK
SYLYFEEKDFVDKAEKSLKQTPHSEIIFYKNGVNQGVAYKDIFEGVYFPAISLYKSCTVS
INFGPCFKYPPKDLTYRPMSDMGWGAVVEHTLADVLYHVETEVDGRRSPPWEP
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| Component 5 |
| Name: | Protein dpy-30 homolog |
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| Synonyms: | DPY30 | DPY30_HUMAN | Dpy-30-like protein | Dpy-30L |
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| Type: | Protein |
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| Mol. Mass.: | 11245.04 |
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| Organism: | Human |
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| Description: | Q9C005 |
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| Residue: | 99 |
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| Sequence: | MEPEQMLEGQTQVAENPHSEYGLTDNVERIVENEKINAEKSSKQKVDLQSLPTRAYLDQT
VVPILLQGLAVLAKERPPNPIEFLASYLLKNKAQFEDRN
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| BDBM552982 |
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| n/a |
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| Name | BDBM552982 |
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| Synonyms: | N-[4-fluoro-5-(6- morpholin-4-ylpyridin-3- yl)-2-[(3S,5R)-3,4,5- trimethylpiperazin-1- yl]phenyl]-6-oxo-4- (trifluoromethyl)-1H- pyridine-3-carboxamide | US11319299, Example 32 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H32F4N6O3 |
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| Mol. Mass. | 588.5964 |
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| SMILES | C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(nc1)N1CCOCC1 |r| |
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| Structure | 
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