Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM259632
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
0.148±n/a nM
Citation
 Bregman, H; Buchanan, JL; Chakka, N; Dimauro, EF; Gunaydin, H; Guzman-Perez, A; Hua, Z; Huang, X Quinazolinone compounds and derivatives thereof US Patent  US9505749 Publication Date 11/29/2016 
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:
BDBM259632
Synonyms:
US9505749, 145
Type:
Small organic molecule
Emp. Form.:
C25H24FN5O3S
Mol. Mass.:
493.553
SMILES:
Fc1ccc2nc(SCCC(=O)N[C@H]3CC[C@@H](CC3)c3nnc(o3)-c3ccccc3)[nH]c(=O)c2c1 |r,wU:13.12,wD:16.19,(-11.1,5.33,;-10.33,4,;-11.1,2.67,;-10.33,1.33,;-8.79,1.33,;-8.02,,;-6.48,,;-5.71,-1.33,;-4.17,-1.33,;-3.4,-2.67,;-1.86,-2.67,;-1.09,-1.33,;-1.09,-4,;.45,-4,;1.22,-2.67,;2.76,-2.67,;3.53,-4,;2.76,-5.33,;1.22,-5.33,;5.07,-4,;5.97,-5.25,;7.44,-4.77,;7.44,-3.23,;5.97,-2.76,;8.53,-2.14,;10.01,-2.54,;11.1,-1.45,;10.7,.04,;9.22,.43,;8.13,-.65,;-5.71,1.33,;-6.48,2.67,;-5.71,4,;-8.02,2.67,;-8.79,4,)|
Structure:
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