BindingDB logo
myBDB logout

null

SMILES: O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2cncnc12

InChI Key: InChIKey=MCWDCZIDTUQRHK-FDDDBJFASA-N

PDB links: 25 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50004699   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
AMP deaminase 1


(Oryctolagus cuniculus)
BDBM50004699
PNG
(CHEBI:45262 | CHEMBL96862 | US11185100, TABLE 9.3)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2cncnc12 |r|
Show InChI InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Similars

PubMed
6.50E+3n/an/an/an/an/an/an/an/a



AgrEvo UK Limited

Curated by ChEMBL


Assay Description
Inhibition of Oryctolagus cuniculus (rabbit) muscle adenylate deaminase


Bioorg Med Chem Lett 9: 1985-90 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ0591
More data for this
Ligand-Target Pair
Taste receptor type 1 member 1/3


(Homo sapiens (Human))
BDBM50004699
PNG
(CHEBI:45262 | CHEMBL96862 | US11185100, TABLE 9.3)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2cncnc12 |r|
Show InChI InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1
UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Similars

n/an/an/an/a 2.00E+4n/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2KP859X
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform


(Homo sapiens (Human))
BDBM50004699
PNG
(CHEBI:45262 | CHEMBL96862 | US11185100, TABLE 9.3)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2cncnc12 |r|
Show InChI InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 1.10n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity against Purine Nucleoside Phosphatase


J Med Chem 45: 2770-80 (2002)


Article DOI: 10.1021/jm0105833
BindingDB Entry DOI: 10.7270/Q2MG7S8S
More data for this
Ligand-Target Pair