| Reaction Details |
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 | Report a problem with these data |
| Target | Nuclear receptor subfamily 2 group C member 2/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 |
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| Ligand | BDBM50594359 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2212458 (CHEMBL5125407) |
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| IC50 | 1100±n/a nM |
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| Citation |  Al Subeh, ZY; Li, T; Ustoyev, A; Obike, JC; West, PM; Khin, M; Burdette, JE; Pearce, CJ; Oberlies, NH; Croatt, MP Semisynthesis of Hypothemycin Analogues Targeting the C8-C9 Diol. J Nat Prod85:2018-2025 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Nuclear receptor subfamily 2 group C member 2/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 |
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| Name: | Nuclear receptor subfamily 2 group C member 2/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 |
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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: | ASSAY_ID of ChEMBL is 2212458 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 |
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| Synonyms: | MAP3K7IP1 | Mitogen-activated protein kinase kinase kinase 7-interacting protein 1 | TAB1 | TAB1_HUMAN | TAK1-binding protein 1 | TGF-beta-activated kinase 1-binding protein1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 54633.89 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q15750 |
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| Residue: | 504 |
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| Sequence: | MAAQRRSLLQSEQQPSWTDDLPLCHLSGVGSASNRSYSADGKGTESHPPEDSWLKFRSEN
NCFLYGVFNGYDGNRVTNFVAQRLSAELLLGQLNAEHAEADVRRVLLQAFDVVERSFLES
IDDALAEKASLQSQLPEGVPQHQLPPQYQKILERLKTLEREISGGAMAVVAVLLNNKLYV
ANVGTNRALLCKSTVDGLQVTQLNVDHTTENEDELFRLSQLGLDAGKIKQVGIICGQEST
RRIGDYKVKYGYTDIDLLSAAKSKPIIAEPEIHGAQPLDGVTGFLVLMSEGLYKALEAAH
GPGQANQEIAAMIDTEFAKQTSLDAVAQAVVDRVKRIHSDTFASGGERARFCPRHEDMTL
LVRNFGYPLGEMSQPTPSPAPAAGGRVYPVSVPYSSAQSTSKTSVTLSLVMPSQGQMVNG
AHSASTLDEATPTLTNQSPTLTLQSTNTHTQSSSSSSDGGLFRSRPAHSLPPGEDGRVEP
YVDFAEFYRLWSVDHGEQSVVTAP
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| Component 2 |
| Name: | Nuclear receptor subfamily 2 group C member 2 |
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| Synonyms: | NR2C2 | NR2C2_HUMAN | Nuclear receptor subfamily 2 group C member 2 | Nuclear receptor subfamily 2 group C member 2 (TAK1) | TAK1 | TR4 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 65411.75 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1476357 |
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| Residue: | 596 |
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| Sequence: | MTSPSPRIQIISTDSAVASPQRIQIVTDQQTGQKIQIVTAVDASGSPKQQFILTSPDGAG
TGKVILASPETSSAKQLIFTTSDNLVPGRIQIVTDSASVERLLGKTDVQRPQVVEYCVVC
GDKASGRHYGAVSCEGCKGFFKRSVRKNLTYSCRSNQDCIINKHHRNRCQFCRLKKCLEM
GMKMESVQSERKPFDVQREKPSNCAASTEKIYIRKDLRSPLIATPTFVADKDGARQTGLL
DPGMLVNIQQPLIREDGTVLLATDSKAETSQGALGTLANVVTSLANLSESLNNGDTSEIQ
PEDQSASEITRAFDTLAKALNTTDSSSSPSLADGIDTSGGGSIHVISRDQSTPIIEVEGP
LLSDTHVTFKLTMPSPMPEYLNVHYICESASRLLFLSMHWARSIPAFQALGQDCNTSLVR
ACWNELFTLGLAQCAQVMSLSTILAAIVNHLQNSIQEDKLSGDRIKQVMEHIWKLQEFCN
SMAKLDIDGYEYAYLKAIVLFSPDHPGLTSTSQIEKFQEKAQMELQDYVQKTYSEDTYRL
ARILVRLPALRLMSSNITEELFFTGLIGNVSIDSIIPYILKMETAEYNGQITGASL
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| BDBM50594359 |
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| n/a |
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| Name | BDBM50594359 |
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| Synonyms: | CHEMBL5185951 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H26O14 |
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| Mol. Mass. | 574.4869 |
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| SMILES | [H][C@@]12C[C@H](OC(=O)\C=C/C(O)=O)[C@H](OC(=O)\C=C/C(O)=O)C(=O)\C=C/C[C@H](C)OC(=O)c3c(O)cc(OC)cc3[C@@]1([H])O2 |r,c:23| |
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| Structure | 
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