Reaction Details Report a problem with these data
Target
Thymidine kinase, cytosolic
Ligand
BDBM50021777
Substrate
n/a
Meas. Tech.
ChEBML_207850
Ki
25000±n/a nM
Citation
 Haines, DR; Tseng, CK; Marquez, VE Synthesis and biological activity of unsaturated carboacyclic purine nucleoside analogues. J Med Chem 30:943-7 (1987) [PubMed]  Article 
Target
Name:
Thymidine kinase, cytosolic
Synonyms:
KITH_HUMAN | TK1
Type:
PROTEIN
Mol. Mass.:
25476.50
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1333884
Residue:
234
Sequence:
MSCINLPTVLPGSPSKTRGQIQVILGPMFSGKSTELMRRVRRFQIAQYKCLVIKYAKDTRYSSSFCTHDRNTMEALPACLLRDVAQEALGVAVIGIDEGQFFPDIVEFCEAMANAGKTVIVAALDGTFQRKPFGAILNLVPLAESVVKLTAVCMECFREAAYTKRLGTEKEVEVIGGADKYHSVCRLCYFKKASGQPAGPDNKENCPVPGKPGEAVAARKLFAPQQILQCSPAN
  
Inhibitor
Name:
BDBM50021777
Synonyms:
2-Amino-9-(4-hydroxy-3-hydroxymethyl-but-2-enyl)-1,9-dihydro-purin-6-one | CHEMBL306477
Type:
Small organic molecule
Emp. Form.:
C10H13N5O3
Mol. Mass.:
251.2419
SMILES:
Nc1nc2n(CC=C(CO)CO)cnc2c(=O)[nH]1 |(-1.17,-10.79,;.17,-10.04,;1.48,-10.8,;2.83,-10.04,;4.29,-10.48,;4.78,-11.96,;6.51,-11.96,;7.73,-13.11,;9.14,-12.79,;9.3,-11.38,;7.83,-14.78,;6.74,-15.85,;5.2,-9.23,;4.27,-8.01,;2.82,-8.5,;1.48,-7.73,;1.48,-6.19,;.17,-8.5,)|
Structure:
Search PDB for entries with ligand similarity: