Reaction Details Report a problem with these data
Target
DNA nucleotidylexotransferase
Ligand
BDBM50442215
Substrate
n/a
Meas. Tech.
ChEMBL_991704 (CHEMBL2445052)
Ki
500±n/a nM
Citation
 Costi, R; Crucitti, GC; Pescatori, L; Messore, A; Scipione, L; Tortorella, S; Amoroso, A; Crespan, E; Campiglia, P; Maresca, B; Porta, A; Granata, I; Novellino, E; Gouge, J; Delarue, M; Maga, G; Di Santo, R New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target. J Med Chem 56:7431-41 (2013) [PubMed]  Article 
Target
Name:
DNA nucleotidylexotransferase
Synonyms:
DNA nucleotidylexotransferase | DNTT | TDT | TDT_HUMAN | Terminal addition enzyme | Terminal deoxynucleotidyltransferase | Terminal transferase
Type:
PROTEIN
Mol. Mass.:
58545.66
Organism:
Homo sapiens (Human)
Description:
ChEMBL_210231
Residue:
509
Sequence:
MDPPRASHLSPRKKRPRQTGALMASSPQDIKFQDLVVFILEKKMGTTRRAFLMELARRKGFRVENELSDSVTHIVAENNSGSDVLEWLQAQKVQVSSQPELLDVSWLIECIRAGKPVEMTGKHQLVVRRDYSDSTNPGPPKTPPIAVQKISQYACQRRTTLNNCNQIFTDAFDILAENCEFRENEDSCVTFMRAASVLKSLPFTIISMKDTEGIPCLGSKVKGIIEEIIEDGESSEVKAVLNDERYQSFKLFTSVFGVGLKTSEKWFRMGFRTLSKVRSDKSLKFTRMQKAGFLYYEDLVSCVTRAEAEAVSVLVKEAVWAFLPDAFVTMTGGFRRGKKMGHDVDFLITSPGSTEDEEQLLQKVMNLWEKKGLLLYYDLVESTFEKLRLPSRKVDALDHFQKCFLIFKLPRQRVDSDQSSWQEGKTWKAIRVDLVLCPYERRAFALLGWTGSRQFERDLRRYATHERKMILDNHALYDKTKRIFLKAESEEEIFAHLGLDYIEPWERNA
  
Inhibitor
Name:
BDBM50442215
Synonyms:
CHEMBL2441974
Type:
Small organic molecule
Emp. Form.:
C21H17NO5
Mol. Mass.:
363.3634
SMILES:
OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(O)cc2)c2ccccc12 |w:9.9|
Structure:
Search PDB for entries with ligand similarity: