Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM259576
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
0.0597±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:
BDBM259576
Synonyms:
US9505749, 87
Type:
Small organic molecule
Emp. Form.:
C23H22ClN5O3S
Mol. Mass.:
483.97
SMILES:
Clc1ccc2n([C@H]3CC[C@@H](CC3)NC(=O)CSc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1 |r,wU:6.5,wD:9.12,(-.35,-6.38,;.74,-5.29,;.26,-3.82,;1.29,-2.68,;2.8,-3,;4.04,-2.09,;4.04,-.55,;2.71,.22,;2.71,1.76,;4.04,2.53,;5.38,1.76,;5.38,.22,;4.04,4.07,;2.71,4.84,;2.71,6.38,;1.38,4.07,;.04,4.84,;-1.29,4.07,;-2.62,4.84,;-3.96,4.07,;-5.29,4.84,;-6.62,4.07,;-6.62,2.53,;-5.29,1.76,;-3.96,2.53,;-2.62,1.76,;-2.62,.22,;-1.29,2.53,;5.29,-3,;6.62,-2.23,;4.81,-4.46,;3.27,-4.46,;2.24,-5.61,)|
Structure:
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