Found 20 hits for monomerid = 28422 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Met repressor
(Escherichia coli) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
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| PDB Article PubMed
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
University of Leeds
Curated by ChEMBL
| Assay Description Binding affinity to Escherichia coli metJ in presence of operator DNA complex by filter binding study |
Bioorg Med Chem Lett 22: 278-84 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.017 BindingDB Entry DOI: 10.7270/Q2HQ40BH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Activity of human wild type PNMT assessed as phenylethanolamine methylation |
J Med Chem 48: 7243-52 (2005)
Article DOI: 10.1021/jm050568o BindingDB Entry DOI: 10.7270/Q2QC049M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphoethanolamine N-methyltransferase 1
(Caenorhabditis elegans) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | n/a | 5.80E+3 | n/a | n/a | n/a | 7.5 | 4 |
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 | |
Phosphoethanolamine N-methyltransferase 1
(Caenorhabditis elegans) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | n/a | 6.10E+3 | n/a | n/a | n/a | 7.5 | 5 |
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 | |
Phosphoethanolamine N-methyltransferase 1
(Caenorhabditis elegans) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | 7.5 | 10 |
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 | |
Phosphoethanolamine N-methyltransferase 1
(Caenorhabditis elegans) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | n/a | 1.07E+4 | n/a | n/a | n/a | 7.5 | 4 |
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 | |
Phosphoethanolamine N-methyltransferase 1
(Caenorhabditis elegans) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | n/a | 1.14E+4 | n/a | n/a | n/a | 7.5 | 15 |
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 | |
Phosphoethanolamine N-methyltransferase 1
(Caenorhabditis elegans) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | n/a | 1.66E+4 | n/a | n/a | n/a | 7.5 | 20 |
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 | |
Phosphoethanolamine N-methyltransferase 1
(Caenorhabditis elegans) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | n/a | 1.91E+4 | n/a | n/a | n/a | 7.5 | 4 |
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 | |
Phosphoethanolamine N-methyltransferase 1
(Caenorhabditis elegans) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | n/a | 2.67E+4 | n/a | n/a | n/a | 7.5 | 25 |
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 | |
Phosphoethanolamine N-methyltransferase 1
(Caenorhabditis elegans) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | n/a | 4.72E+4 | n/a | n/a | n/a | 7.5 | 4 |
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 | |
S-adenosylmethionine decarboxylase proenzyme
(Rattus norvegicus) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells |
J Med Chem 25: 550-6 (1982)
BindingDB Entry DOI: 10.7270/Q2VX0H37 |
More data for this Ligand-Target Pair | |
Protein arginine N-methyltransferase 1 [11-371]
(Homo sapiens (Human)) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Park
Curated by ChEMBL
| Assay Description Inhibition of GST-fused human recombinant PRMT1 after 90 mins by SDS-PAGE based scintillation counting |
Bioorg Med Chem Lett 20: 2103-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.069 BindingDB Entry DOI: 10.7270/Q2WQ04SW |
More data for this Ligand-Target Pair | |
Met repressor
(Escherichia coli) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a |
University of Leeds
Curated by ChEMBL
| Assay Description Binding affinity to Escherichia coli metJ assessed as protein dimer-DNA complex formation using F-metC operator DNA by fluorescence anisotropy |
Bioorg Med Chem Lett 22: 278-84 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.017 BindingDB Entry DOI: 10.7270/Q2HQ40BH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
S-adenosylmethionine decarboxylase proenzyme
(Rattus norvegicus) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine |
J Med Chem 25: 550-6 (1982)
BindingDB Entry DOI: 10.7270/Q2VX0H37 |
More data for this Ligand-Target Pair | |
Protein-L-isoaspartate(D-aspartate) O-methyltransferase
(Homo sapiens (Human)) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R.S.
Curated by ChEMBL
| Assay Description Kinetic constant was measured for PMII of Leishmania donovani promastigotes using protein extracted from the 12000 g pellet (P12). |
J Med Chem 35: 63-7 (1992)
BindingDB Entry DOI: 10.7270/Q2T1548J |
More data for this Ligand-Target Pair | |
Transmembrane and immunoglobulin domain-containing 3
(RAT) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | KEGG
UniProtKB/TrEMBL
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| PubMed
| 2.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes, Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Mol Pharmacol 45: 1101-11 (1994)
BindingDB Entry DOI: 10.7270/Q26Q1VR9 |
More data for this Ligand-Target Pair | |
Protein-L-isoaspartate(D-aspartate) O-methyltransferase
(Homo sapiens (Human)) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| 1.64E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R.S.
Curated by ChEMBL
| Assay Description Kinetic constant was measured for PMII of Leishmania donovani promastigotes using protein extracted from the 12000 g pellet (P12). |
J Med Chem 35: 63-7 (1992)
BindingDB Entry DOI: 10.7270/Q2T1548J |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PubMed
| 675 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes, Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Mol Pharmacol 45: 1101-11 (1994)
BindingDB Entry DOI: 10.7270/Q26Q1VR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PubMed
| 2.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes, Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Mol Pharmacol 45: 1101-11 (1994)
BindingDB Entry DOI: 10.7270/Q26Q1VR9 |
More data for this Ligand-Target Pair | |