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Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM231019
Substrate
n/a
Meas. Tech.
Tankyrase Biochemical Assays
Temperature
298.15±n/a K
IC50
20.1±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:
BDBM231019
Synonyms:
US9340549, 36
Type:
Small organic molecule
Emp. Form.:
C23H26N4O3
Mol. Mass.:
406.4775
SMILES:
CC1(C)OC(=O)N(C1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncccc2[nH]c1=O |r,w:7.8,wU:14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|
Structure:
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