Reaction Details | |||
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Target | DNA polymerase beta | ||
Ligand | BDBM50412092 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_546495 (CHEMBL1026664) | ||
IC50 | 57700±n/a nM | ||
Citation | Pengsuparp, T; Cai, L; Constant, H; Fong, HH; Lin, LZ; Kinghorn, AD; Pezzuto, JM; Cordell, GA; Ingolfsdöttir, K; Wagner, H; Hughes, SH Mechanistic Evaluation of New Plant-Derived Compounds That Inhibit HIV-1 Reverse Transcriptase J Nat Prod58:1024-1031 (1995) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
DNA polymerase beta | |||
Name: | DNA polymerase beta | ||
Synonyms: | DNA polymerase beta (Pol β) | DPOLB_HUMAN | POLB | ||
Type: | Protein | ||
Mol. Mass.: | 38188.76 | ||
Organism: | Homo sapiens (Human) | ||
Description: | n/a | ||
Residue: | 335 | ||
Sequence: |
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BDBM50412092 | |||
n/a | |||
Name | BDBM50412092 | ||
Synonyms: | SWERTIFRANCHESIDE | ||
Type | Small organic molecule | ||
Emp. Form. | C35H28O17 | ||
Mol. Mass. | 720.5866 | ||
SMILES | COc1cc(O)c2c(c1)oc1c(O)cc(c(O)c1c2=O)-c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1 |r,wU:24.26,26.29,31.34,wD:29.32,33.37,(-10.05,.93,;-10.05,-.61,;-8.72,-1.38,;-8.72,-2.93,;-7.38,-3.7,;-7.38,-5.24,;-6.05,-2.93,;-6.05,-1.38,;-7.39,-.61,;-4.72,-.6,;-3.38,-1.38,;-2.05,-.61,;-2.06,.93,;-.72,-1.38,;-.72,-2.92,;-2.05,-3.69,;-2.05,-5.23,;-3.38,-2.92,;-4.72,-3.7,;-4.72,-5.24,;.62,-3.69,;.61,-5.23,;-.72,-6,;1.94,-6,;1.94,-7.53,;.6,-8.3,;.6,-9.84,;-.74,-10.6,;-2.07,-9.83,;1.93,-10.61,;1.93,-12.15,;3.27,-9.84,;4.6,-10.62,;3.28,-8.3,;4.61,-7.53,;3.28,-5.23,;4.62,-5.99,;3.26,-3.68,;1.94,-2.92,;1.93,-1.39,;3.26,-.63,;4.58,-1.39,;4.58,-2.92,;5.91,-3.69,;3.26,.9,;4.59,1.67,;4.59,3.21,;3.26,3.98,;3.26,5.52,;1.92,3.21,;.58,3.97,;1.93,1.67,)| | ||
Structure |