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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
Chemical Structure
Pathways
Source Organism
Number of Compounds
Monomer List in csv
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Compound
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Important Compounds
Chemical Structure
Name
SMILES
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/
Targets
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85%
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Seq ID
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Found
3
hits of ic50 for UniProtKB:
P07862
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
D-alanine--D-alanine ligase B
(Escherichia coli K-12)
BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES
Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI
InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
n/a
n/a
1.99E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Competitive inhibition of Escherichia coli DdlB using ATP as substrate
Citation and Details
Article DOI:
10.1007/s00044-012-0207-7
BindingDB Entry DOI:
10.7270/Q2CZ3B2V
More data for this
Ligand-Target Pair
D-alanine--D-alanine ligase B
(Escherichia coli K-12)
BDBM7458
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
n/a
n/a
1.63E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Competitive inhibition of Escherichia coli DdlB using ATP as substrate
Citation and Details
Article DOI:
10.1007/s00044-012-0207-7
BindingDB Entry DOI:
10.7270/Q2CZ3B2V
More data for this
Ligand-Target Pair
D-alanine--D-alanine ligase B
(Escherichia coli K-12)
BDBM50589509
(CHEMBL5173242)
Show SMILES
CC[C@H](C)[C@@H](CCC(=O)NC)NC(=O)[C@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)[C@H](CCC(C)C)NCc1cnn(C)c1-c1ccc(OC)cc1 |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.43E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128915
BindingDB Entry DOI:
10.7270/Q2VT1X1N
More data for this
Ligand-Target Pair
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