Reaction Details Report a problem with these data
Target
Deoxycytidine kinase
Ligand
BDBM50440179
Substrate
n/a
Meas. Tech.
ChEMBL_1437137 (CHEMBL3381706)
IC50
0.900000±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:
BDBM50440179
Synonyms:
CHEMBL2426567
Type:
Small organic molecule
Emp. Form.:
C21H27N5O4S2
Mol. Mass.:
477.6
SMILES:
CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OCCO)c(OCCO)c1
Structure:
Search PDB for entries with ligand similarity: