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Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM231037
Substrate
n/a
Meas. Tech.
Tankyrase Biochemical Assays
Temperature
298.15±n/a K
IC50
7.42±n/a nM
Comments
extracted
Citation
 Bregman, H; Buchanan, JL; Chakka, N; Dimauro, EF; Gunaydin, H; Guzman-Perez, A; Hua, Z; Huang, H; Huang, X; Martin, MW; Patel, VF Oxazolidinone compounds and derivatives thereof US Patent  US9340549 Publication Date 5/17/2016 
Target
Name:
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Synonyms:
PARP5A | PARPL | TIN1 | TINF1 | TNKS | TNKS1 | TNKS1_HUMAN | Tankyrase-1
Type:
Enzyme
Mol. Mass.:
26714.90
Organism:
Human
Description:
O95271[1091-1325]
Residue:
235
Sequence:
QGTNPYLTFHCVNQGTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYLITYQIMKPEAPSQTATAAEQ
  
Inhibitor
Name:
BDBM231037
Synonyms:
US9340549, 54
Type:
Small organic molecule
Emp. Form.:
C24H25N5O3
Mol. Mass.:
431.487
SMILES:
CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(ncc2[nH]c1=O)C#N |r,wU:7.8,17.22,wD:14.15,(-6.69,.55,;-5.36,1.32,;-6.13,-.01,;-5.36,2.86,;-3.89,3.33,;-3.12,4.67,;-2.99,2.09,;-3.89,.84,;-3.49,-.64,;-4.58,-1.73,;-4.18,-3.22,;-2.69,-3.62,;-1.61,-2.53,;-2,-1.04,;-1.45,2.09,;-.68,.76,;.86,.76,;1.63,2.09,;.86,3.42,;-.68,3.42,;3.17,2.09,;4.08,.84,;3.76,-.66,;4.9,-1.69,;6.37,-1.22,;6.69,.29,;5.54,1.32,;5.54,2.86,;4.08,3.33,;3.31,4.67,;4.58,-3.2,;4.26,-4.71,)|
Structure:
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