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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with Target = 'Metabotropic Glutamate 1a' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic Glutamate 1a


(HUMAN)
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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30n/an/an/an/an/an/an/an/a



CNS Research

Curated by PDSP Ki Database




J Neurochem 67: 58-63 (1996)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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200n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50013055
PNG
(2-aminopentanedioateglutamate | L-Glutamate | glut...)
Show SMILES NC(CCC([O-])=O)C([O-])=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2
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340n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM85706
PNG
(2Me4CPG)
Show SMILES Cc1cc(ccc1C(O)=O)C(N)C(O)=O
Show InChI InChI=1S/C10H11NO4/c1-5-4-6(8(11)10(14)15)2-3-7(5)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)(H,14,15)
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700n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM85707
PNG
(CAS_82410-32-0 | DHPG | NSC_3454)
Show SMILES Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
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900n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(C(O)=O)c1cc(=O)[nH]o1
Show InChI InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)
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1.20E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50050919
PNG
((1S,2S,3R)-2-(Amino-carboxy-methyl)-3-phenyl-cyclo...)
Show SMILES NC([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10?/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50004899
PNG
((1R,2S)-2-((S)-Amino-carboxy-methyl)-cyclopropanec...)
Show SMILES N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3+,4-/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50004863
PNG
((+/-)-trans-ACPD | (1S,3S)-1-Amino-cyclopentane-1,...)
Show SMILES N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7-/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50004899
PNG
((1R,2S)-2-((S)-Amino-carboxy-methyl)-cyclopropanec...)
Show SMILES N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3+,4-/m0/s1
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3.47E+3n/an/an/an/an/an/an/an/a



CNS Research

Curated by PDSP Ki Database




J Neurochem 67: 58-63 (1996)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM82251
PNG
((R)-4-Carboxyphenylglycine | (S)-4CPG | CAS_134052...)
Show SMILES N[C@@H](C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m1/s1
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3.70E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50079183
PNG
((2S)-amino(3,5-dihydroxyphenyl)ethanoic acid | (S)...)
Show SMILES N[C@H](C(O)=O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1
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6.60E+3n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50030630
PNG
((RS)-1-aminoindan-1,5-dicarboxylic acid | 1-Amino-...)
Show SMILES NC1(CCc2cc(ccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)
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7.00E+3n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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9.00E+3n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM85014
PNG
(CAS_5311456 | MTPG | NSC_5311456)
Show SMILES CC(N)(C(O)=O)c1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C10H11N5O2/c1-10(11,9(16)17)7-2-4-8(5-3-7)15-6-12-13-14-15/h2-6H,11H2,1H3,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(C(O)=O)c1cc(=O)[nH]o1
Show InChI InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50079270
PNG
((2R,4R)-Azetidine-2,4-dicarboxylic acid | CHEMBL43...)
Show SMILES OC(=O)[C@H]1C[C@@H](N1)C(O)=O
Show InChI InChI=1S/C5H7NO4/c7-4(8)2-1-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50076394
PNG
(2-Amino-bicyclo[2.2.1]heptane-2,7-dicarboxylic aci...)
Show SMILES NC1(CC2CCC1C2C(O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO4/c10-9(8(13)14)3-4-1-2-5(9)6(4)7(11)12/h4-6H,1-3,10H2,(H,11,12)(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50053589
PNG
((S)-3-Hydroxyphenylglycine | (S)-Amino-(3-hydroxy-...)
Show SMILES N[C@H](C(O)=O)c1cccc(O)c1
Show InChI InChI=1S/C8H9NO3/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50030630
PNG
((RS)-1-aminoindan-1,5-dicarboxylic acid | 1-Amino-...)
Show SMILES NC1(CCc2cc(ccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50084142
PNG
(Amino-(2-chloro-5-hydroxy-phenyl)-acetic acid | CH...)
Show SMILES NC(C(O)=O)c1cc(O)ccc1Cl
Show InChI InChI=1S/C8H8ClNO3/c9-6-2-1-4(11)3-5(6)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50034503
PNG
((1R,2R)-3-((S)-Amino-carboxy-methyl)-cyclopropane-...)
Show SMILES N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50030629
PNG
((R,S)-4-Carboxy-3-hydroxyphenylglycine | (S)-4CPG ...)
Show SMILES NC(C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50030628
PNG
((S)-4C3HPG | 4-(Amino-carboxy-methyl)-2-hydroxy-be...)
Show SMILES NC(C(O)=O)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM85077
PNG
(3-Phosphono-D,L-2-aminopropionic acid, 7 | CAS_230...)
Show SMILES NC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50004051
PNG
(2-Amino-4-phosphono-butyric acid | 2-Amino-4-phosp...)
Show SMILES NC(CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50053589
PNG
((S)-3-Hydroxyphenylglycine | (S)-Amino-(3-hydroxy-...)
Show SMILES N[C@H](C(O)=O)c1cccc(O)c1
Show InChI InChI=1S/C8H9NO3/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




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Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50053586
PNG
((S)-3-Carboxy-4-hydroxyphenylglycine | (S)-5-(amin...)
Show SMILES N[C@H](C(O)=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-6(11)5(3-4)8(12)13/h1-3,7,11H,10H2,(H,12,13)(H,14,15)/t7-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50030627
PNG
((+-)-MCPG | (R,S)-alpha-Methyl-4-carboxyphenylglyc...)
Show SMILES CC(N)(C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM85708
PNG
(Ro 48-8587 | Ro-48-8587)
Show InChI InChI=1S/C12H7N7O4/c20-11-15-10-6-3-8(17-2-1-13-5-17)9(19(22)23)4-7(6)14-12(21)18(10)16-11/h1-5H,(H,14,21)(H,16,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)

More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM85017
PNG
((1S,3S)-1-AMINO-1-CARBOXYCYCLOPENTANE-3-ACETIC ACI...)
Show SMILES N[C@]1(CC[C@H](CC(O)=O)C1)C(O)=O
Show InChI InChI=1S/C8H13NO4/c9-8(7(12)13)2-1-5(4-8)3-6(10)11/h5H,1-4,9H2,(H,10,11)(H,12,13)/t5-,8+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




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Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50089910
PNG
(2-Amino-2-(4-phosphono-phenyl)-propionic acid | 2-...)
Show SMILES CC(N)(C(O)=O)c1ccc(cc1)P(O)(O)=O
Show InChI InChI=1S/C9H12NO5P/c1-9(10,8(11)12)6-2-4-7(5-3-6)16(13,14)15/h2-5H,10H2,1H3,(H,11,12)(H2,13,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




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Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM85077
PNG
(3-Phosphono-D,L-2-aminopropionic acid, 7 | CAS_230...)
Show SMILES NC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

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Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50034504
PNG
((1S,2S)-2-((S)-Amino-carboxy-methyl)-cyclopropanec...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1
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Emory University

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(HUMAN)
BDBM50030627
PNG
((+-)-MCPG | (R,S)-alpha-Methyl-4-carboxyphenylglyc...)
Show SMILES CC(N)(C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)
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Emory University

Curated by PDSP Ki Database




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Ligand-Target Pair