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SMILES: OC1[C@@H](COP(O)(O)=O)[NH2+][C@H](C1O)c1cnccc1C(O)=O

InChI Key: InChIKey=JXRLRPXJSHOZDZ-XHHQTKHESA-O

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 2 hits for monomerid = 214789   
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
Uridine 5'-monophosphate synthase


(Homo sapiens (Human))
BDBM214789
PNG
(OPRT inhibitor, 12)
Show SMILES OC1[C@@H](COP(O)(O)=O)[NH2+][C@H](C1O)c1cnccc1C(O)=O |r|
Show InChI InChI=1S/C11H15N2O8P/c14-9-7(4-21-22(18,19)20)13-8(10(9)15)6-3-12-2-1-5(6)11(16)17/h1-3,7-10,13-15H,4H2,(H,16,17)(H2,18,19,20)/p+1/t7-,8+,9?,10?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.30E+3 -7.32n/an/an/an/an/a8.025



Albert Einstein College of Medicine



Assay Description
Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...


J Biol Chem 288: 34746-54 (2013)


Article DOI: 10.1074/jbc.M113.521955
BindingDB Entry DOI: 10.7270/Q2T152GD
More data for this
Ligand-Target Pair
Orotate phosphoribosyltransferase


(Plasmodium falciparum)
BDBM214789
PNG
(OPRT inhibitor, 12)
Show SMILES OC1[C@@H](COP(O)(O)=O)[NH2+][C@H](C1O)c1cnccc1C(O)=O |r|
Show InChI InChI=1S/C11H15N2O8P/c14-9-7(4-21-22(18,19)20)13-8(10(9)15)6-3-12-2-1-5(6)11(16)17/h1-3,7-10,13-15H,4H2,(H,16,17)(H2,18,19,20)/p+1/t7-,8+,9?,10?/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.55E+4 -6.56n/an/an/an/an/a8.025



Albert Einstein College of Medicine



Assay Description
Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...


J Biol Chem 288: 34746-54 (2013)


Article DOI: 10.1074/jbc.M113.521955
BindingDB Entry DOI: 10.7270/Q2T152GD
More data for this
Ligand-Target Pair