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PDB code 1BR6

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ricin

  (267/267 = 100%)
(Ricinus communis)
BDBM6645
PNG
(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}b...)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(O)=O)nc2c(=O)[nH]1
Show InChI InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
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n/an/a 6.00E+5n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes


J Med Chem 45: 90-8 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ricin

  (267/267 = 100%)
(Ricinus communis)
BDBM6645
PNG
(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}b...)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(O)=O)nc2c(=O)[nH]1
Show InChI InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
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PubMed
n/an/a 6.00E+5n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of Ricin toxin A


J Med Chem 56: 320-9 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ricin

  (267/267 = 100%)
(Ricinus communis)
BDBM6645
PNG
(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}b...)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(O)=O)nc2c(=O)[nH]1
Show InChI InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 6.00E+5n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of castor seed ricin A chain translation degradation activity in rabbit reticulocyte lysate after 90 mins by luciferase-based luminometer ...


Eur J Med Chem 46: 3608-15 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output