Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM231158
Substrate
n/a
Meas. Tech.
Tankyrase Biochemical Assays
Temperature
298.15±n/a K
IC50
0.375±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:
BDBM231158
Synonyms:
US9340549, 178
Type:
Small organic molecule
Emp. Form.:
C24H24N4O3
Mol. Mass.:
416.4724
SMILES:
C[C@H]1OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:1.0,6.7,16.21,wD:13.14,(-7.62,.02,;-6.28,.79,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,.23,;-.06,.23,;.71,1.56,;-.06,2.9,;-1.6,2.9,;2.25,1.56,;3.15,.32,;2.83,-1.19,;3.98,-2.22,;5.44,-1.74,;5.76,-.24,;4.62,.79,;4.62,2.33,;3.15,2.81,;2.38,4.14,;6.58,-2.77,;7.73,-3.8,)|
Structure:
Search PDB for entries with ligand similarity: