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Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM231012
Substrate
n/a
Meas. Tech.
Tankyrase Biochemical Assays
Temperature
298.15±n/a K
IC50
5.33±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:
BDBM231012
Synonyms:
US9340549, 29
Type:
Small organic molecule
Emp. Form.:
C24H26ClN3O3
Mol. Mass.:
439.935
SMILES:
CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(Cl)cc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-7.07,.02,;-5.74,.79,;-6.51,-.54,;-5.74,2.33,;-4.28,2.81,;-3.51,4.14,;-3.37,1.56,;-4.28,.32,;-3.88,-1.17,;-4.97,-2.26,;-4.57,-3.75,;-3.08,-4.14,;-1.99,-3.05,;-2.39,-1.57,;-1.83,1.56,;-1.06,2.9,;.48,2.9,;1.25,1.56,;.48,.23,;-1.06,.23,;2.79,1.56,;3.7,.32,;3.38,-1.19,;4.52,-2.22,;5.98,-1.74,;7.07,-2.83,;6.3,-.24,;5.16,.79,;5.16,2.33,;3.7,2.81,;2.93,4.14,)|
Structure:
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