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BDBM50308984 AdoCys::CHEMBL597532::S-Adenosylhomocysteine

SMILES: N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O

InChI Key: InChIKey=ZJUKTBDSGOFHSH-QRUYCIGCNA-N

Data: 18 Kd  18 ITC

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 18 hits for monomerid = 50308984   
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
Phosphoehtnaolamine Methyltransferases 1 (PMT1)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 2 (PMT2)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 2 (PMT2)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 2 (PMT2)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 2 (PMT2)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 2 (PMT2)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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n/an/an/a 4.20E+3n/an/an/a7.520



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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 2 (PMT2)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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n/an/an/a 5.40E+3n/an/an/a7.525



Washington University





J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 2 (PMT2)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 2 (PMT2)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 2 (PMT2)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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n/an/an/a 9.30E+3n/an/an/a7.54



Washington University





J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2
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J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 18 hits for monomerid = 50308984
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PC cid
PC sid
-8.129.93-9.79n/a7.54



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 2 (PMT2)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PDB
PC cid
PC sid
-6.699.93-16.5n/a7.54



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 2 (PMT2)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PDB
PC cid
PC sid
-6.935.03-11.9n/a7.54



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 2 (PMT2)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PDB
PC cid
PC sid
-6.695.76-12.4n/a7.54



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 2 (PMT2)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PDB
PC cid
PC sid
-6.93-0.265-6.69n/a7.54



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PC cid
PC sid
-7.881.20-9.08n/a7.55



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PC cid
PC sid
-7.884.06-12.0n/a7.510



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PC cid
PC sid
-7.886.68-14.6n/a7.515



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PC cid
PC sid
-7.889.80-17.7n/a7.520



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PC cid
PC sid
-7.6411.5-19.2n/a7.525



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 2 (PMT2)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PDB
PC cid
PC sid
-7.402.19-9.31n/a7.55



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 2 (PMT2)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PDB
PC cid
PC sid
-7.402.84-10.1n/a7.510



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 2 (PMT2)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PDB
PC cid
PC sid
-7.403.58-10.8n/a7.515



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 2 (PMT2)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PDB
PC cid
PC sid
-7.174.55-11.7n/a7.520



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 2 (PMT2)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PDB
PC cid
PC sid
-7.175.48-12.6n/a7.525



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PC cid
PC sid
-7.407.94-15.2n/a7.54



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PC cid
PC sid
-7.648.61-15.9n/a7.54



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM50308984
JPEG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
GoogleScholar
PC cid
PC sid
-7.889.93-17.8n/a7.54



Washington University





J Biol Chem 286: 38060-8 (2011)