Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM231069
Substrate
n/a
Meas. Tech.
Tankyrase Biochemical Assays
Temperature
298.15±n/a K
IC50
4.9±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:
BDBM231069
Synonyms:
US9340549, 92
Type:
Small organic molecule
Emp. Form.:
C24H24N4O3
Mol. Mass.:
416.4724
SMILES:
CC1(CN([C@H]2CC[C@H](CC2)n2c3ccc(cc3[nH]c2=O)C#N)C(=O)O1)c1ccccc1 |r,wU:4.3,7.10,(-4.54,5.69,;-3.2,4.92,;-2.3,3.67,;-.83,4.15,;.5,3.38,;1.83,4.15,;3.17,3.38,;3.17,1.84,;1.83,1.07,;.5,1.84,;4.5,1.07,;4.5,-.47,;3.36,-1.5,;3.68,-3.01,;5.14,-3.48,;6.28,-2.45,;5.96,-.95,;6.87,.3,;5.96,1.54,;6.73,2.88,;5.54,-4.97,;5.94,-6.46,;-.83,5.69,;.5,6.46,;-2.3,6.16,;-4.29,3.83,;-5.78,4.23,;-6.87,3.14,;-6.47,1.65,;-4.98,1.25,;-3.89,2.34,)|
Structure:
Search PDB for entries with ligand similarity: