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Target
Nuclear receptor subfamily 2 group C member 2/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Ligand
BDBM50594370
Substrate
n/a
Meas. Tech.
ChEMBL_2212458 (CHEMBL5125407)
IC50
>1000±n/a nM
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 Prod 85:2018-2025 (2022) [PubMed] 
Target
Name:
Nuclear receptor subfamily 2 group C member 2/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2212458
Components:
This complex has 2 components.
Component 1
Name:
TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
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
Type:
Enzyme
Mol. Mass.:
54633.89
Organism:
Homo sapiens (Human)
Description:
Q15750
Residue:
504
Sequence:
MAAQRRSLLQSEQQPSWTDDLPLCHLSGVGSASNRSYSADGKGTESHPPEDSWLKFRSENNCFLYGVFNGYDGNRVTNFVAQRLSAELLLGQLNAEHAEADVRRVLLQAFDVVERSFLESIDDALAEKASLQSQLPEGVPQHQLPPQYQKILERLKTLEREISGGAMAVVAVLLNNKLYVANVGTNRALLCKSTVDGLQVTQLNVDHTTENEDELFRLSQLGLDAGKIKQVGIICGQESTRRIGDYKVKYGYTDIDLLSAAKSKPIIAEPEIHGAQPLDGVTGFLVLMSEGLYKALEAAHGPGQANQEIAAMIDTEFAKQTSLDAVAQAVVDRVKRIHSDTFASGGERARFCPRHEDMTLLVRNFGYPLGEMSQPTPSPAPAAGGRVYPVSVPYSSAQSTSKTSVTLSLVMPSQGQMVNGAHSASTLDEATPTLTNQSPTLTLQSTNTHTQSSSSSSDGGLFRSRPAHSLPPGEDGRVEPYVDFAEFYRLWSVDHGEQSVVTAP
  
Component 2
Name:
Nuclear receptor subfamily 2 group C member 2
Synonyms:
NR2C2 | NR2C2_HUMAN | Nuclear receptor subfamily 2 group C member 2 | Nuclear receptor subfamily 2 group C member 2 (TAK1) | TAK1 | TR4
Type:
PROTEIN
Mol. Mass.:
65411.75
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1476357
Residue:
596
Sequence:
MTSPSPRIQIISTDSAVASPQRIQIVTDQQTGQKIQIVTAVDASGSPKQQFILTSPDGAGTGKVILASPETSSAKQLIFTTSDNLVPGRIQIVTDSASVERLLGKTDVQRPQVVEYCVVCGDKASGRHYGAVSCEGCKGFFKRSVRKNLTYSCRSNQDCIINKHHRNRCQFCRLKKCLEMGMKMESVQSERKPFDVQREKPSNCAASTEKIYIRKDLRSPLIATPTFVADKDGARQTGLLDPGMLVNIQQPLIREDGTVLLATDSKAETSQGALGTLANVVTSLANLSESLNNGDTSEIQPEDQSASEITRAFDTLAKALNTTDSSSSPSLADGIDTSGGGSIHVISRDQSTPIIEVEGPLLSDTHVTFKLTMPSPMPEYLNVHYICESASRLLFLSMHWARSIPAFQALGQDCNTSLVRACWNELFTLGLAQCAQVMSLSTILAAIVNHLQNSIQEDKLSGDRIKQVMEHIWKLQEFCNSMAKLDIDGYEYAYLKAIVLFSPDHPGLTSTSQIEKFQEKAQMELQDYVQKTYSEDTYRLARILVRLPALRLMSSNITEELFFTGLIGNVSIDSIIPYILKMETAEYNGQITGASL
  
Inhibitor
Name:
BDBM50594370
Synonyms:
CHEMBL5208768
Type:
Small organic molecule
Emp. Form.:
C28H34O14
Mol. Mass.:
594.5612
SMILES:
[H][C@@]12C[C@H](OC(=O)OCC)[C@H](OC(=O)OCC)C(=O)\C=C/C[C@H](C)OC(=O)c3c(OC(=O)OCC)cc(OC)cc3[C@@]1([H])O2 |r,c:19|
Structure:
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