Reaction Details | |||
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Target | Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] | ||
Ligand | BDBM259552 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Biochemical Assay | ||
IC50 | 2.33±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 | ||
More Info.: | Get all data from this article, Assay Method | ||
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] | |||
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: |
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BDBM259552 | |||
n/a | |||
Name | BDBM259552 | ||
Synonyms: | US9505749, 63 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H25ClN4O3 | ||
Mol. Mass. | 464.944 | ||
SMILES | Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1C#N |r,wU:6.5,wD:9.12,(8.67,-5.39,;7.34,-4.62,;7.34,-3.08,;6,-2.31,;4.67,-3.08,;3.33,-2.31,;3.33,-.77,;2,,;2,1.54,;3.33,2.31,;4.67,1.54,;4.67,,;3.33,3.85,;2,4.62,;2,6.16,;.67,3.85,;-.67,4.62,;-2,3.85,;-3.33,4.62,;-4.67,3.85,;-6,4.62,;-7.34,3.85,;-8.67,4.62,;-8.67,6.16,;-7.34,6.93,;-6,6.16,;-4.67,6.93,;-4.67,8.47,;-3.33,6.16,;4.67,-4.62,;6,-5.39,;6,-6.93,;6,-8.47,)| | ||
Structure |