Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM259563
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
0.161±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:
BDBM259563
Synonyms:
US9505749, 74
Type:
Small organic molecule
Emp. Form.:
C25H26ClN5O3
Mol. Mass.:
479.959
SMILES:
Clc1ccc2n([C@H]3CC[C@@H](CC3)NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1 |r,wU:9.12,wD:6.5,(11.68,-.81,;10.19,-.41,;9.28,-1.66,;7.75,-1.5,;7.13,-.09,;5.66,.38,;4.33,-.38,;2.99,.39,;1.66,-.38,;1.66,-1.93,;2.99,-2.69,;4.33,-1.93,;.33,-2.69,;-1.01,-1.93,;-1.01,-.38,;-2.34,-2.69,;-3.67,-1.93,;-5.01,-2.69,;-6.34,-1.93,;-7.68,-2.69,;-9.01,-1.93,;-10.34,-2.69,;-11.68,-1.93,;-11.68,-.38,;-10.34,.38,;-9.01,-.38,;-7.68,.38,;-7.68,1.93,;-6.34,-.38,;5.66,1.93,;4.33,2.69,;7.13,2.4,;8.03,1.15,;9.56,.99,)|
Structure:
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