Reaction Details Report a problem with these data
Target
m7GpppX diphosphatase
Ligand
BDBM50512855
Substrate
n/a
Meas. Tech.
ChEMBL_1850437 (CHEMBL4351061)
IC50
<0.020000±n/a nM
Citation
 Gehringer, M; Laufer, SA Emerging and Re-Emerging Warheads for Targeted Covalent Inhibitors: Applications in Medicinal Chemistry and Chemical Biology. J Med Chem 62:5673-5724 (2019) [PubMed]  Article 
Target
Name:
m7GpppX diphosphatase
Synonyms:
DCPS | DCPS_HUMAN | DCS1 | HINT5 | Scavenger mRNA-decapping enzyme (DcpS)
Type:
Enzyme
Mol. Mass.:
38606.80
Organism:
Homo sapiens (Human)
Description:
Q96C86
Residue:
337
Sequence:
MADAAPQLGKRKRELDVEEAHAASTEEKEAGVGNGTCAPVRLPFSGFRLQKVLRESARDKIIFLHGKVNEASGDGDGEDAVVILEKTPFQVEQVAQLLTGSPELQLQFSNDIYSTYHLFPPRQLNDVKTTVVYPATEKHLQKYLRQDLRLIRETGDDYRNITLPHLESQSLSIQWVYNILDKKAEADRIVFENPDPSDGFVLIPDLKWNQQQLDDLYLIAICHRRGIRSLRDLTPEHLPLLRNILHQGQEAILQRYRMKGDHLRVYLHYLPSYYHLHVHFTALGFEAPGSGVERAHLLAEVIENLECDPRHYQQRTLTFALRADDPLLKLLQEAQQS
  
Inhibitor
Name:
BDBM50512855
Synonyms:
CHEMBL4465809
Type:
Small organic molecule
Emp. Form.:
C15H13FN4O3S
Mol. Mass.:
348.352
SMILES:
Nc1nc(N)c2c(OCc3ccc(cc3)S(F)(=O)=O)cccc2n1
Structure:
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