BDBM50135091 1-((1R,3S,4S,6S)-4-Hydroxy-5-hydroxymethyl-bicyclo[3.1.0]hex-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((1S,2S,4S,5R)-4-Hydroxy-5-hydroxymethyl-bicyclo[3.1.0]hex-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE::CHEMBL146673

SMILES Cc1cn([C@H]2C[C@H](O)[C@]3(CO)C[C@H]23)c(=O)[nH]c1=O

InChI Key InChIKey=NOWRLNPOENZFHP-ARHDFHRDSA-N

Data  1 KI

PDB links: 2 PDB IDs match this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50135091   

TargetThymidine kinase, cytosolic(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50135091(1-((1R,3S,4S,6S)-4-Hydroxy-5-hydroxymethyl-bicyclo...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@]3(CO)C[C@H]23)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1
Affinity DataKi:  1.61E+4nMAssay Description:Binding affinity constant against HSV-1 thymidine kinaseMore data for this Ligand-Target Pair