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17 similar compounds to monomer 36435

Wt: 293.3
BDBM22113
Wt: 293.3
BDBM22110
Wt: 335.4
BDBM36436
Wt: 369.4
BDBM36497
Wt: 389.9
BDBM36498
Wt: 293.3
BDBM50170089
Wt: 259.3
BDBM50326406
Wt: 257.2
BDBM50326408
Wt: 289.3
BDBM50326399
Wt: 289.3
BDBM50326400
Wt: 317.4
BDBM50326401
Wt: 261.3
BDBM50326411
Wt: 261.3
BDBM50326398
Wt: 273.3
BDBM50326402
Wt: 312.4
BDBM50390251
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 50 hits for monomerid = 22113,22110,36436,36497,36498,50170089,50326406,50326408,50326399,50326400,50326401,50326411,50326398,50326402,50390251   
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
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli)
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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0.00200n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate assessed as inhibition...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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PubMed
0.0480 -13.9n/an/an/an/an/a7.022



Industrial Research Limited



Assay Description
Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293...


J Med Chem 51: 948-56 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli)
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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0.0480n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate by xanthine oxidase co...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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0.0730 -13.8n/an/an/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Purified MTAN activity in MTAN enzyme inhibition assay


Nat Chem Biol 5: 251-7 (2009)

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


(Homo sapiens (human))
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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0.0780n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of human MTAP using methylthioadenosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-inhibitor complex...


Citation and Details
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM50170089
PNG
(1-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-ylmethyl)-...)
Show SMILES CSCC1CN(Cc2c[nH]c3c(N)ncnc23)CC1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)
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0.0900n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)

More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM36436
PNG
((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...)
Show SMILES CCCCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C16H25N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,18,22H,2-4,6-9H2,1H3,(H2,17,19,20)/t12-,13+/m1/s1
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0.208 -13.2n/an/an/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Purified MTAN activity in MTAN enzyme inhibition assay


Nat Chem Biol 5: 251-7 (2009)

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


(Homo sapiens (human))
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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0.530n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of human MTAP using methylthioadenosine as substrate by xanthine oxidase coupling enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM50326399
PNG
((+/-)-trans-4-Butyl-1-[(9-deazaadenin-9-yl)methyl]...)
Show SMILES CCCC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C15H23N5O/c1-2-3-4-10-6-20(8-12(10)21)7-11-5-17-14-13(11)18-9-19-15(14)16/h5,9-10,12,17,21H,2-4,6-8H2,1H3,(H2,16,18,19)/t10-,12-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MTAP


J Med Chem 53: 6730-46 (2010)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM50326398
PNG
((+/-)-trans-1-[(9-Deazaadenin-9-yl)methyl]-4-ethyl...)
Show SMILES CC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5O/c1-2-8-4-18(6-10(8)19)5-9-3-15-12-11(9)16-7-17-13(12)14/h3,7-8,10,15,19H,2,4-6H2,1H3,(H2,14,16,17)/t8-,10-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MTAP


J Med Chem 53: 6730-46 (2010)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM36497
PNG
(CHEMBL191436 | DADMe-ImmA-Bn)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12
Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)
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0.700n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM50326399
PNG
((+/-)-trans-4-Butyl-1-[(9-deazaadenin-9-yl)methyl]...)
Show SMILES CCCC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C15H23N5O/c1-2-3-4-10-6-20(8-12(10)21)7-11-5-17-14-13(11)18-9-19-15(14)16/h5,9-10,12,17,21H,2-4,6-8H2,1H3,(H2,16,18,19)/t10-,12-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MTAP


J Med Chem 53: 6730-46 (2010)

More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM22110
PNG
(Azetidine based compound, 43 | [1-({4-amino-5H-pyr...)
Show SMILES CSCC1(CO)CN(Cc2c[nH]c3c(N)ncnc23)C1
Show InChI InChI=1S/C13H19N5OS/c1-20-7-13(6-19)4-18(5-13)3-9-2-15-11-10(9)16-8-17-12(11)14/h2,8,15,19H,3-7H2,1H3,(H2,14,16,17)
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PubMed
0.840 -12.2n/an/an/an/an/a7.022



Industrial Research Limited



Assay Description
Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293...


J Med Chem 51: 948-56 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM36497
PNG
(CHEMBL191436 | DADMe-ImmA-Bn)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12
Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)
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1.40n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as initial dissociation constant


J Med Chem 48: 4679-89 (2005)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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1.70 -11.8n/an/an/an/an/a7.022



Industrial Research Limited



Assay Description
Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293...


J Med Chem 51: 948-56 (2008)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM50170089
PNG
(1-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-ylmethyl)-...)
Show SMILES CSCC1CN(Cc2c[nH]c3c(N)ncnc23)CC1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)
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1.70n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as initial dissociation constant


J Med Chem 48: 4679-89 (2005)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM50326400
PNG
((+/-)-trans-1-[(9-Deazaadenin-9-yl)methyl]-3-hydro...)
Show SMILES CC(C)C[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C15H23N5O/c1-9(2)3-10-5-20(7-12(10)21)6-11-4-17-14-13(11)18-8-19-15(14)16/h4,8-10,12,17,21H,3,5-7H2,1-2H3,(H2,16,18,19)/t10-,12-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MTAP


J Med Chem 53: 6730-46 (2010)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM50326402
PNG
((+/-)-trans-4-Cyclopropyl-1-[(9-deazaadenin-9-yl)m...)
Show SMILES Nc1ncnc2c(CN3C[C@H](O)[C@H](C3)C3CC3)c[nH]c12
Show InChI InChI=1S/C14H19N5O/c15-14-13-12(17-7-18-14)9(3-16-13)4-19-5-10(8-1-2-8)11(20)6-19/h3,7-8,10-11,16,20H,1-2,4-6H2,(H2,15,17,18)/t10-,11+/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MTAP


J Med Chem 53: 6730-46 (2010)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM50326398
PNG
((+/-)-trans-1-[(9-Deazaadenin-9-yl)methyl]-4-ethyl...)
Show SMILES CC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5O/c1-2-8-4-18(6-10(8)19)5-9-3-15-12-11(9)16-7-17-13(12)14/h3,7-8,10,15,19H,2,4-6H2,1H3,(H2,14,16,17)/t8-,10-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MTAP


J Med Chem 53: 6730-46 (2010)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM50326406
PNG
((+/-)-trans-1-[(9-Deazaadenin-9-yl)methyl]-3-hydro...)
Show SMILES Nc1ncnc2c(CN3C[C@H](O)[C@H](C3)C=C)c[nH]c12
Show InChI InChI=1S/C13H17N5O/c1-2-8-4-18(6-10(8)19)5-9-3-15-12-11(9)16-7-17-13(12)14/h2-3,7-8,10,15,19H,1,4-6H2,(H2,14,16,17)/t8-,10-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MTAP


J Med Chem 53: 6730-46 (2010)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM50326401
PNG
((+/-)-trans-1-[(9-Deazaadenin-9-yl)methyl]-3-hydro...)
Show SMILES CCC(CC)C[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C17H27N5O/c1-3-11(4-2)5-12-7-22(9-14(12)23)8-13-6-19-16-15(13)20-10-21-17(16)18/h6,10-12,14,19,23H,3-5,7-9H2,1-2H3,(H2,18,20,21)/t12-,14-/m0/s1
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18n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MTAP


J Med Chem 53: 6730-46 (2010)

More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Streptococcus pneumoniae)
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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24 -10.3n/an/an/an/an/a7.022



Industrial Research Limited



Assay Description
Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293...


J Med Chem 51: 948-56 (2008)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM50326408
PNG
((+/-)-trans-1-[(9-Deazaadenin-9-yl)methyl]-4-ethyn...)
Show SMILES Nc1ncnc2c(CN3C[C@H](O)[C@H](C3)C#C)c[nH]c12
Show InChI InChI=1S/C13H15N5O/c1-2-8-4-18(6-10(8)19)5-9-3-15-12-11(9)16-7-17-13(12)14/h1,3,7-8,10,15,19H,4-6H2,(H2,14,16,17)/t8-,10-/m0/s1
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31n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MTAP


J Med Chem 53: 6730-46 (2010)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM50326411
PNG
((+/-)-Benzyl cis-3-(Benzoyloxy)-4-ethylpyrrolidine...)
Show SMILES CC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@H]1O
Show InChI InChI=1S/C13H19N5O/c1-2-8-4-18(6-10(8)19)5-9-3-15-12-11(9)16-7-17-13(12)14/h3,7-8,10,15,19H,2,4-6H2,1H3,(H2,14,16,17)/t8-,10+/m0/s1
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34n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MTAP


J Med Chem 53: 6730-46 (2010)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM50390251
PNG
(CHEMBL2070404)
Show SMILES CSC[C@@H](C[NH2+]Cc1c[nH]c2c(N)ncnc12)[C@@H](O)CO
Show InChI InChI=1S/C13H21N5O2S/c1-21-6-9(10(20)5-19)3-15-2-8-4-16-12-11(8)17-7-18-13(12)14/h4,7,9-10,15-16,19-20H,2-3,5-6H2,1H3,(H2,14,17,18)/p+1/t9-,10+/m1/s1
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34n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis


Bioorg Med Chem 20: 5181-7 (2012)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM22110
PNG
(Azetidine based compound, 43 | [1-({4-amino-5H-pyr...)
Show SMILES CSCC1(CO)CN(Cc2c[nH]c3c(N)ncnc23)C1
Show InChI InChI=1S/C13H19N5OS/c1-20-7-13(6-19)4-18(5-13)3-9-2-15-11-10(9)16-8-17-12(11)14/h2,8,15,19H,3-7H2,1H3,(H2,14,16,17)
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140 -9.25n/an/an/an/an/a7.022



Industrial Research Limited



Assay Description
Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293...


J Med Chem 51: 948-56 (2008)

More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Streptococcus pneumoniae)
BDBM22110
PNG
(Azetidine based compound, 43 | [1-({4-amino-5H-pyr...)
Show SMILES CSCC1(CO)CN(Cc2c[nH]c3c(N)ncnc23)C1
Show InChI InChI=1S/C13H19N5OS/c1-20-7-13(6-19)4-18(5-13)3-9-2-15-11-10(9)16-8-17-12(11)14/h2,8,15,19H,3-7H2,1H3,(H2,14,16,17)
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150 -9.21n/an/an/an/an/a7.022



Industrial Research Limited



Assay Description
Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293...


J Med Chem 51: 948-56 (2008)

More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase (MTAN)


(Klebsiella pneumoniae)
BDBM36498
PNG
(DADMe-ImmA-p-ClPh)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12
Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)
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n/an/an/a 0.5n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

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


(Klebsiella pneumoniae)
BDBM36497
PNG
(CHEMBL191436 | DADMe-ImmA-Bn)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12
Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)
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n/an/an/a 1.90n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

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


(Klebsiella pneumoniae)
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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n/an/an/a 0.784n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

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


(Helicobacter pylori)
BDBM36498
PNG
(DADMe-ImmA-p-ClPh)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12
Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)
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n/an/an/a 0.570n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

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


(Helicobacter pylori)
BDBM36497
PNG
(CHEMBL191436 | DADMe-ImmA-Bn)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12
Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)
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n/an/an/a 200n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase (MTAN)


(Helicobacter pylori)
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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n/an/an/a 0.571n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

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


(Neisseria meningitidis)
BDBM36498
PNG
(DADMe-ImmA-p-ClPh)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12
Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)
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n/an/an/a 0.0210n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase (MTAN)


(Neisseria meningitidis)
BDBM36497
PNG
(CHEMBL191436 | DADMe-ImmA-Bn)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12
Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)
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n/an/an/a 0.0240n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase (MTAN)


(Neisseria meningitidis)
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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n/an/an/a 0.140n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase (MTAN)


(Staphylococcus aureus)
BDBM36498
PNG
(DADMe-ImmA-p-ClPh)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12
Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)
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n/an/an/a 8n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase (MTAN)


(Staphylococcus aureus)
BDBM36497
PNG
(CHEMBL191436 | DADMe-ImmA-Bn)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12
Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)
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n/an/an/a 0.841n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM36498
PNG
(DADMe-ImmA-p-ClPh)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12
Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)
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n/an/an/a 0.0100n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

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


(Homo sapiens (human))
BDBM36497
PNG
(CHEMBL191436 | DADMe-ImmA-Bn)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12
Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)
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n/an/an/a 0.700n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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n/an/an/a 0.0340n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (human))
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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n/an/an/a 0.0860n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase (MTAN)


(Streptococcus pneumoniae)
BDBM36497
PNG
(CHEMBL191436 | DADMe-ImmA-Bn)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12
Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)
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n/an/an/a 2.40n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase (MTAN)


(Streptococcus pneumoniae)
BDBM36498
PNG
(DADMe-ImmA-p-ClPh)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12
Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)
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n/an/an/a 0.360n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase (MTAN)


(Streptococcus pneumoniae)
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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n/an/an/a 24n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM36498
PNG
(DADMe-ImmA-p-ClPh)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12
Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)
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n/an/an/a 0.0000470n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

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


(Staphylococcus aureus)
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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n/an/an/a 1.40n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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n/an/an/a 0.00200n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

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


(Escherichia coli (strain K12))
BDBM36497
PNG
(CHEMBL191436 | DADMe-ImmA-Bn)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12
Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)
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n/an/an/a 0.000460n/an/an/a7.525



Albert Einstein College of Medicine



Assay Description
Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.


ACS Chem Biol 2: 725-34 (2007)

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