Reaction Details Report a problem with these data
Target
M-phase inducer phosphatase 3
Ligand
BDBM50129583
Substrate
n/a
Meas. Tech.
ChEMBL_49190 (CHEMBL662118)
IC50
10000±n/a nM
Citation
 Sohn, J; Kiburz, B; Li, Z; Deng, L; Safi, A; Pirrung, MC; Rudolph, J Inhibition of Cdc25 phosphatases by indolyldihydroxyquinones. J Med Chem 46:2580-8 (2003) [PubMed]  Article 
Target
Name:
M-phase inducer phosphatase 3
Synonyms:
CDC25C | Dual specificity phosphatase Cdc25C | M-phase inducer phosphatase 3 | MPIP3_HUMAN
Type:
Substrate
Mol. Mass.:
53366.11
Organism:
Homo sapiens (Human)
Description:
P30307
Residue:
473
Sequence:
MSTELFSSTREEGSSGSGPSFRSNQRKMLNLLLERDTSFTVCPDVPRTPVGKFLGDSANLSILSGGTPKRCLDLSNLSSGEITATQLTTSADLDETGHLDSSGLQEVHLAGMNHDQHLMKCSPAQLLCSTPNGLDRGHRKRDAMCSSSANKENDNGNLVDSEMKYLGSPITTVPKLDKNPNLGEDQAEEISDELMEFSLKDQEAKVSRSGLYRSPSMPENLNRPRLKQVEKFKDNTIPDKVKKKYFSGQGKLRKGLCLKKTVSLCDITITQMLEEDSNQGHLIGDFSKVCALPTVSGKHQDLKYVNPETVAALLSGKFQGLIEKFYVIDCRYPYEYLGGHIQGALNLYSQEELFNFFLKKPIVPLDTQKRIIIVFHCEFSSERGPRMCRCLREEDRSLNQYPALYYPELYILKGGYRDFFPEYMELCEPQSYCPMHHQDHKTELLRCRSQSKVQEGERQLREQIALLVKDMSP
  
Inhibitor
Name:
BDBM50129583
Synonyms:
3-[7-(3,7-Dimethyl-octa-2,6-dienyl)-1H-indol-3-yl]-2,5-dihydroxy-[1,4]benzoquinone | CHEMBL87872
Type:
Small organic molecule
Emp. Form.:
C24H25NO4
Mol. Mass.:
391.4596
SMILES:
CC(C)=CCC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-7.67,2.04,;-6.14,1.81,;-5.19,3.02,;-5.59,.39,;-4.07,.16,;-3.51,-1.28,;-1.99,-1.5,;-1.42,-2.94,;-1.02,-.29,;.5,-.54,;1.45,.67,;.88,2.09,;1.85,3.3,;3.36,3.06,;3.92,1.63,;5.36,1.09,;5.29,-.44,;3.82,-.84,;2.96,.43,;6.68,1.88,;6.64,3.42,;5.29,4.19,;7.97,4.21,;7.94,5.74,;9.32,3.46,;9.34,1.91,;10.69,1.14,;8.01,1.13,;8.03,-.4,)|
Structure:
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