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SMILES: C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(=O)ccc2cc2c1[nH]c(=O)[nH]c2=O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O

InChI Key: InChIKey=XXFFZHQKSZLLIT-NALJQGANSA-N

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 6 hits for monomerid = 197175   
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
F420-dependent glucose-6-phosphate dehydrogenase


(Mycobacterium tuberculosis)
BDBM197175
PNG
(F420)
Show SMILES C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(=O)ccc2cc2c1[nH]c(=O)[nH]c2=O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,36-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H2,32,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.60n/an/an/a7.0n/a



The University of Texas at Arlington



Assay Description
Fluorescence spectroscopy was used to determine the G6P and F420 dissociationconstants (Kd) for the FGD wild-type and mutant enzymes. A Spectrosil Qu...


Biochemistry 55: 5566-5577 (2016)


Article DOI: 10.1021/acs.biochem.6b00638
BindingDB Entry DOI: 10.7270/Q2C8284N
More data for this
Ligand-Target Pair
F420-dependent glucose-6-phosphate dehydrogenase [W44F]


(Mycobacterium tuberculosis)
BDBM197175
PNG
(F420)
Show SMILES C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(=O)ccc2cc2c1[nH]c(=O)[nH]c2=O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,36-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H2,32,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 22n/an/an/a7.0n/a



The University of Texas at Arlington



Assay Description
Fluorescence spectroscopy was used to determine the G6P and F420 dissociationconstants (Kd) for the FGD wild-type and mutant enzymes. A Spectrosil Qu...


Biochemistry 55: 5566-5577 (2016)


Article DOI: 10.1021/acs.biochem.6b00638
BindingDB Entry DOI: 10.7270/Q2C8284N
More data for this
Ligand-Target Pair
F420-dependent glucose-6-phosphate dehydrogenase [H40A]


(Mycobacterium tuberculosis)
BDBM197175
PNG
(F420)
Show SMILES C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(=O)ccc2cc2c1[nH]c(=O)[nH]c2=O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,36-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H2,32,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 150n/an/an/a7.0n/a



The University of Texas at Arlington



Assay Description
Fluorescence spectroscopy was used to determine the G6P and F420 dissociationconstants (Kd) for the FGD wild-type and mutant enzymes. A Spectrosil Qu...


Biochemistry 55: 5566-5577 (2016)


Article DOI: 10.1021/acs.biochem.6b00638
BindingDB Entry DOI: 10.7270/Q2C8284N
More data for this
Ligand-Target Pair
F420-dependent glucose-6-phosphate dehydrogenase [W44A]


(Mycobacterium tuberculosis)
BDBM197175
PNG
(F420)
Show SMILES C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(=O)ccc2cc2c1[nH]c(=O)[nH]c2=O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,36-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H2,32,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 120n/an/an/a7.0n/a



The University of Texas at Arlington



Assay Description
Fluorescence spectroscopy was used to determine the G6P and F420 dissociationconstants (Kd) for the FGD wild-type and mutant enzymes. A Spectrosil Qu...


Biochemistry 55: 5566-5577 (2016)


Article DOI: 10.1021/acs.biochem.6b00638
BindingDB Entry DOI: 10.7270/Q2C8284N
More data for this
Ligand-Target Pair
F420-dependent glucose-6-phosphate dehydrogenase [E109Q]


(Mycobacterium tuberculosis)
BDBM197175
PNG
(F420)
Show SMILES C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(=O)ccc2cc2c1[nH]c(=O)[nH]c2=O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,36-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H2,32,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 500n/an/an/a7.0n/a



The University of Texas at Arlington



Assay Description
Fluorescence spectroscopy was used to determine the G6P and F420 dissociationconstants (Kd) for the FGD wild-type and mutant enzymes. A Spectrosil Qu...


Biochemistry 55: 5566-5577 (2016)


Article DOI: 10.1021/acs.biochem.6b00638
BindingDB Entry DOI: 10.7270/Q2C8284N
More data for this
Ligand-Target Pair
F420-dependent glucose-6-phosphate dehydrogenase [W44Y]


(Mycobacterium tuberculosis)
BDBM197175
PNG
(F420)
Show SMILES C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(=O)ccc2cc2c1[nH]c(=O)[nH]c2=O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,36-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H2,32,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.17E+3n/an/an/a7.0n/a



The University of Texas at Arlington



Assay Description
Fluorescence spectroscopy was used to determine the G6P and F420 dissociationconstants (Kd) for the FGD wild-type and mutant enzymes. A Spectrosil Qu...


Biochemistry 55: 5566-5577 (2016)


Article DOI: 10.1021/acs.biochem.6b00638
BindingDB Entry DOI: 10.7270/Q2C8284N
More data for this
Ligand-Target Pair