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Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM230995
Substrate
n/a
Meas. Tech.
Tankyrase Biochemical Assays
Temperature
298.15±n/a K
IC50
2060±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:
BDBM230995
Synonyms:
US9340549, 13
Type:
Small organic molecule
Emp. Form.:
C26H30N6O2
Mol. Mass.:
458.5554
SMILES:
CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(Nc2ncccn2)c1 |r,wU:17.22,wD:7.8,14.15,(-7.24,.81,;-5.91,1.58,;-6.68,.25,;-5.91,3.12,;-4.44,3.6,;-3.67,4.93,;-3.54,2.35,;-4.44,1.11,;-4.04,-.38,;-5.13,-1.47,;-4.74,-2.96,;-3.25,-3.35,;-2.16,-2.27,;-2.56,-.78,;-2,2.35,;-1.23,1.02,;.31,1.02,;1.08,2.35,;.31,3.69,;-1.23,3.69,;2.62,2.35,;3.39,3.69,;4.93,3.69,;5.7,2.35,;7.24,2.35,;4.93,1.02,;5.7,-.31,;5.7,-1.85,;4.37,-2.62,;4.37,-4.16,;5.7,-4.93,;7.04,-4.16,;7.04,-2.62,;3.39,1.02,)|
Structure:
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