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Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM231022
Substrate
n/a
Meas. Tech.
Tankyrase Biochemical Assays
Temperature
298.15±n/a K
IC50
457±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:
Homo sapiens (Human)
Description:
O95271[1091-1325]
Residue:
235
Sequence:
QGTNPYLTFHCVNQGTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYLITYQIMKPEAPSQTATAAEQ
  
Inhibitor
Name:
BDBM231022
Synonyms:
US9340549, 39
Type:
Small organic molecule
Emp. Form.:
C25H28F2N4O3
Mol. Mass.:
470.5116
SMILES:
CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccncc2n(CC(F)F)c1=O |r,wU:7.8,17.22,wD:14.15,(-8.12,.02,;-6.78,.79,;-7.55,-.54,;-6.78,2.33,;-5.32,2.81,;-4.55,4.14,;-4.41,1.56,;-5.32,.32,;-4.92,-1.17,;-6.01,-2.26,;-5.61,-3.75,;-4.12,-4.14,;-3.03,-3.05,;-3.43,-1.57,;-2.87,1.56,;-2.1,.23,;-.56,.23,;.21,1.56,;-.56,2.9,;-2.1,2.9,;1.75,1.56,;2.65,.32,;2.33,-1.19,;3.48,-2.22,;4.94,-1.74,;5.26,-.24,;4.12,.79,;4.12,2.33,;5.45,3.1,;6.78,2.33,;8.12,3.1,;6.78,.79,;2.65,2.81,;1.88,4.14,)|
Structure:
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