Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM259606
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
0.194±n/a nM
Citation
 Bregman, HBuchanan, JLChakka, NDimauro, EFGunaydin, HGuzman-Perez, AHua, ZHuang, 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:
BDBM259606
Synonyms:
US9505749, 119
Type:
Small organic molecule
Emp. Form.:
C25H24FN5O3S
Mol. Mass.:
493.553
SMILES:
Fc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(10.73,-3.39,;10.33,-1.9,;11.42,-.81,;11.02,.68,;9.53,1.08,;8.44,-.01,;8.84,-1.5,;6.96,.38,;6.05,1.63,;4.59,1.15,;4.59,-.38,;6.05,-.86,;3.25,-1.15,;1.92,-.38,;.58,-1.15,;.58,-2.69,;1.92,-3.47,;3.25,-2.69,;-.75,-3.47,;-2.08,-2.69,;-2.08,-1.15,;-3.42,-3.47,;-4.75,-2.69,;-4.75,-1.15,;-6.08,-.38,;-7.42,-1.15,;-8.75,-.38,;-10.08,-1.15,;-11.42,-.38,;-11.42,1.15,;-10.08,1.93,;-8.75,1.15,;-7.42,1.93,;-7.42,3.47,;-6.08,1.15,)|
Structure:
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