Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM231123
Substrate
n/a
Meas. Tech.
Tankyrase Biochemical Assays
Temperature
298.15±n/a K
IC50
11.4±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:
BDBM231123
Synonyms:
US9340549, 148
Type:
Small organic molecule
Emp. Form.:
C28H30N4O3
Mol. Mass.:
470.5628
SMILES:
CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc(n1)-c1ccccc1 |r,wU:7.8,17.22,wD:14.15,(-8.78,-.02,;-7.45,.75,;-8.22,-.58,;-7.45,2.29,;-5.98,2.77,;-5.21,4.1,;-5.08,1.52,;-5.98,.27,;-5.58,-1.21,;-6.67,-2.3,;-6.28,-3.79,;-4.79,-4.19,;-3.7,-3.1,;-4.1,-1.61,;-3.54,1.52,;-2.77,.19,;-1.23,.19,;-.46,1.52,;-1.23,2.85,;-2.77,2.85,;1.08,1.52,;1.85,2.85,;1.08,4.19,;3.39,2.85,;4.16,4.19,;5.7,4.19,;6.47,2.85,;5.7,1.52,;4.16,1.52,;6.47,.19,;5.7,-1.15,;6.47,-2.48,;8.01,-2.48,;8.78,-1.15,;8.01,.19,)|
Structure:
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