Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM259609
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
0.153±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:
BDBM259609
Synonyms:
US9505749, 122
Type:
Small organic molecule
Emp. Form.:
C25H23ClFN5O3S
Mol. Mass.:
527.998
SMILES:
Fc1ccc(cc1Cl)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(12.16,-1.21,;10.67,-.81,;10.28,.68,;8.79,1.08,;7.7,-.01,;8.1,-1.5,;9.59,-1.9,;9.98,-3.39,;6.21,.38,;5.31,1.63,;3.84,1.15,;3.84,-.38,;5.31,-.86,;2.51,-1.15,;1.17,-.38,;-.16,-1.15,;-.16,-2.69,;1.17,-3.47,;2.51,-2.69,;-1.49,-3.47,;-2.83,-2.69,;-2.83,-1.15,;-4.16,-3.47,;-5.49,-2.69,;-5.49,-1.15,;-6.83,-.38,;-8.16,-1.15,;-9.49,-.38,;-10.83,-1.15,;-12.16,-.38,;-12.16,1.15,;-10.83,1.93,;-9.49,1.15,;-8.16,1.93,;-8.16,3.47,;-6.83,1.15,)|
Structure:
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