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Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM231163
Substrate
n/a
Meas. Tech.
Tankyrase Biochemical Assays
Temperature
298.15±n/a K
IC50
3.94±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:
BDBM231163
Synonyms:
US9340549, 183
Type:
Small organic molecule
Emp. Form.:
C25H27N5O3S
Mol. Mass.:
477.579
SMILES:
CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1csc(n1)-c1ncccn1 |r,wU:7.8,14.15,wD:17.22,(-9.1,-.02,;-7.77,.75,;-8.54,-.58,;-7.77,2.29,;-6.31,2.77,;-5.54,4.1,;-5.4,1.52,;-6.31,.27,;-5.91,-1.21,;-7,-2.3,;-6.6,-3.79,;-5.11,-4.19,;-4.02,-3.1,;-4.42,-1.61,;-3.86,1.52,;-3.09,2.85,;-1.55,2.85,;-.78,1.52,;-1.55,.19,;-3.09,.19,;.76,1.52,;1.53,2.85,;.76,4.19,;3.07,2.85,;3.97,4.1,;5.44,3.62,;5.44,2.08,;3.97,1.61,;6.53,1,;6.13,-.49,;7.22,-1.58,;8.71,-1.18,;9.1,.31,;8.02,1.39,)|
Structure:
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