Reaction Details Report a problem with these data
Target
Deoxycytidine kinase
Ligand
BDBM50031339
Substrate
n/a
Meas. Tech.
ChEMBL_1437137 (CHEMBL3381706)
IC50
1.3±n/a nM
Citation
 Nomme, J; Li, Z; Gipson, RM; Wang, J; Armijo, AL; Le, T; Poddar, S; Smith, T; Santarsiero, BD; Nguyen, HA; Czernin, J; Alexandrova, AN; Jung, ME; Radu, CG; Lavie, A Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J Med Chem 57:9480-94 (2014) [PubMed]  Article 
Target
Name:
Deoxycytidine kinase
Synonyms:
DCK | DCK_HUMAN
Type:
PROTEIN
Mol. Mass.:
30510.65
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1437135
Residue:
260
Sequence:
MATPPKRSCPSFSASSEGTRIKKISIEGNIAAGKSTFVNILKQLCEDWEVVPEPVARWCNVQSTQDEFEELTMSQKNGGNVLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFFERSVYSDRYIFASNLYESECMNETEWTIYQDWHDWMNNQFGQSLELDGIIYLQATPETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDYLQEVPILTLDVNEDFKDKYESLVEKVKEFLSTL
  
Inhibitor
Name:
BDBM50031339
Synonyms:
CHEMBL3358096
Type:
Small organic molecule
Emp. Form.:
C25H35N5O5S2
Mol. Mass.:
549.706
SMILES:
CCOc1cc(ccc1OCCOCCOCCOC)-c1nc([C@@H](C)Sc2nc(N)cc(N)n2)c(C)s1 |r|
Structure:
Search PDB for entries with ligand similarity: