Reaction Details Report a problem with these data
Target
DNA polymerase I, thermostable
Ligand
BDBM50327441
Substrate
n/a
Meas. Tech.
ChEMBL_664563 (CHEMBL1260104)
IC50
20700±n/a nM
Citation
 Liu, XH; Liu, HF; Chen, J; Yang, Y; Song, BA; Bai, LS; Liu, JX; Zhu, HL; Qi, XB Synthesis and molecular docking study of novel coumarin derivatives containing 4,5-dihydropyrazole moiety as potential antitumor agents. Bioorg Med Chem Lett 20:5705-8 (2010) [PubMed]  Article 
Target
Name:
DNA polymerase I, thermostable
Synonyms:
DNA polymerase I, thermostable | DPO1_THEAQ | Taq polymerase 1 | pol1 | polA
Type:
PROTEIN
Mol. Mass.:
93906.95
Organism:
Thermus aquaticus
Description:
ChEMBL_1289218
Residue:
832
Sequence:
MRGMLPLFEPKGRVLLVDGHHLAYRTFHALKGLTTSRGEPVQAVYGFAKSLLKALKEDGDAVIVVFDAKAPSFRHEAYGGYKAGRAPTPEDFPRQLALIKELVDLLGLARLEVPGYEADDVLASLAKKAEKEGYEVRILTADKDLYQLLSDRIHVLHPEGYLITPAWLWEKYGLRPDQWADYRALTGDESDNLPGVKGIGEKTARKLLEEWGSLEALLKNLDRLKPAIREKILAHMDDLKLSWDLAKVRTDLPLEVDFAKRREPDRERLRAFLERLEFGSLLHEFGLLESPKALEEAPWPPPEGAFVGFVLSRKEPMWADLLALAAARGGRVHRAPEPYKALRDLKEARGLLAKDLSVLALREGLGLPPGDDPMLLAYLLDPSNTTPEGVARRYGGEWTEEAGERAALSERLFANLWGRLEGEERLLWLYREVERPLSAVLAHMEATGVRLDVAYLRALSLEVAEEIARLEAEVFRLAGHPFNLNSRDQLERVLFDELGLPAIGKTEKTGKRSTSAAVLEALREAHPIVEKILQYRELTKLKSTYIDPLPDLIHPRTGRLHTRFNQTATATGRLSSSDPNLQNIPVRTPLGQRIRRAFIAEEGWLLVALDYSQIELRVLAHLSGDENLIRVFQEGRDIHTETASWMFGVPREAVDPLMRRAAKTINFGVLYGMSAHRLSQELAIPYEEAQAFIERYFQSFPKVRAWIEKTLEEGRRRGYVETLFGRRRYVPDLEARVKSVREAAERMAFNMPVQGTAADLMKLAMVKLFPRLEEMGARMLLQVHDELVLEAPKERAEAVARLAKEVMEGVYPLAVPLEVEVGIGEDWLSAKE
  
Inhibitor
Name:
BDBM50327441
Synonyms:
3-(1-acetyl-5-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)-2H-chromen-2-one | CHEMBL1258982
Type:
Small organic molecule
Emp. Form.:
C20H14Cl2N2O3
Mol. Mass.:
401.243
SMILES:
CC(=O)N1N=C(CC1c1ccc(Cl)cc1Cl)c1cc2ccccc2oc1=O |c:4|
Structure:
Search PDB for entries with ligand similarity: