Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM231038
Substrate
n/a
Meas. Tech.
Tankyrase Biochemical Assays
Temperature
298.15±n/a K
IC50
2.95±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:
BDBM231038
Synonyms:
US9340549, 55
Type:
Small organic molecule
Emp. Form.:
C23H25FN4O3
Mol. Mass.:
424.468
SMILES:
CC1(C)OC(=O)N([C@H]1c1ccc(F)cc1)[C@H]1CC[C@@H](CC1)n1c2ccncc2[nH]c1=O |r,wU:7.8,18.23,wD:15.16,(-6.69,.77,;-5.36,1.54,;-6.13,.2,;-5.36,3.08,;-3.89,3.55,;-3.12,4.89,;-2.99,2.31,;-3.89,1.06,;-3.49,-.43,;-4.58,-1.51,;-4.18,-3,;-2.69,-3.4,;-2.3,-4.89,;-1.61,-2.31,;-2,-.82,;-1.45,2.31,;-.68,.97,;.86,.97,;1.63,2.31,;.86,3.64,;-.68,3.64,;3.17,2.31,;4.08,1.06,;3.76,-.44,;4.9,-1.47,;6.37,-1,;6.69,.51,;5.54,1.54,;5.54,3.08,;4.08,3.55,;3.31,4.89,)|
Structure:
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