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Found 1 hit Enz. Inhib. hit(s) with Target = 'Botulinum neurotoxin type A2 [1-425]' and Ligand = 'BDBM23305'   
Target/Host
(Institution)		LigandTarget/Host
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
Botulinum neurotoxin type A2 [1-425]


(Clostridium botulinum)		BDBM23305
PNG
(4-amino-7-chloroquinoline (ACQ)-based compound, 10...)
Show SMILES [H][C@@]12C[C@@H](CC[C@]1(C)C1C[C@H](OC(C)=O)[C@]3(C)[C@H](CCC3C1[C@@H](C2)OC(C)=O)C(C)CCC(=O)OC)OCCNc1ccnc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C40H55ClN2O7/c1-23(7-12-37(46)47-6)30-10-11-31-38-32(22-36(40(30,31)5)50-25(3)45)39(4)15-13-28(19-26(39)20-35(38)49-24(2)44)48-18-17-43-33-14-16-42-34-21-27(41)8-9-29(33)34/h8-9,14,16,21,23,26,28,30-32,35-36,38H,7,10-13,15,17-20,22H2,1-6H3,(H,42,43)/t23?,26-,28+,30+,31?,32?,35+,36-,38?,39-,40+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/an/an/an/a7.322



National Cancer Institute at Frederick



Assay Description
Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...

J Med Chem 50: 2127-36 (2007)


Article DOI: 10.1021/jm061446e
BindingDB Entry DOI: 10.7270/Q2VQ3105
More data for this
Ligand-Target Pair