BDBM50377969 CHEMBL1162297

SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO[P@](O)(=O)C[P@@](O)(=O)OP(O)(O)=O)O1

InChI Key InChIKey=XETARULVTCYJAN-XLPZGREQSA-N

Data  1 KI

PDB links: 9 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 = 50377969   

TargetDNA polymerase beta(Homo sapiens (Human))
University of Rhode Island

Curated by ChEMBL
LigandPNGBDBM50377969(CHEMBL1162297)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO[P@](O)(=O)C[P@@](O)(=O)OP(O)(O)=O)O1
Show InChI InChI=1S/C11H18N5O11P3/c12-10-9-11(14-3-13-10)16(4-15-9)8-1-6(17)7(26-8)2-25-28(18,19)5-29(20,21)27-30(22,23)24/h3-4,6-8,17H,1-2,5H2,(H,18,19)(H,20,21)(H2,12,13,14)(H2,22,23,24)/t6-,7+,8+/m0/s1
Affinity DataKi:  5.00E+3nMAssay Description:Inhibition of human DNA polymerase betaMore data for this Ligand-Target Pair