BindingDB logo
myBDB logout

BDBM12003 (2R,3R,4R,5S,6R)-2-{[(1R,2R,3S,4R,6S)-6-amino-4-carbamimidamido-2,3-dihydroxycyclohexyl]oxy}-6-(aminomethyl)-4,5-dihydroxyoxane-3-guanidine::1,2-Diguanidinoneamine::Neamine guanidinylated deriv. 20

SMILES: [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#7])-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8]

InChI Key: InChIKey=IEOOJLZDKUKIIZ-KXJULSOVSA-N

Data: 1 KI

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 1 hit for monomerid = 12003   
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
Anthrax Lethal Factor (LF)


(Bacillus anthracis)		BDBM12003
PNG
((2R,3R,4R,5S,6R)-2-{[(1R,2R,3S,4R,6S)-6-amino-4-ca...)
Show SMILES [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#7])-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C14H30N8O6/c15-2-5-8(24)9(25)6(22-14(19)20)12(27-5)28-11-3(16)1-4(21-13(17)18)7(23)10(11)26/h3-12,23-26H,1-2,15-16H2,(H4,17,18,21)(H4,19,20,22)/t3-,4+,5+,6+,7-,8+,9+,10+,11+,12+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 5.30E+3 -7.12n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...

Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair