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BDBM31174 CHEMBL29757::D-Aspartate::D-Aspartic Acid

SMILES: N[C@H](CC(O)=O)C(O)=O

InChI Key: InChIKey=CKLJMWTZIZZHCS-UWTATZPHSA-N

Data: 3 KI  1 Kd  3 EC50

PDB links: 72 PDB IDs match this monomer. 5 PDB IDs contain this monomer as substructures. 5 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 7 hits for monomerid = 31174   
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
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM31174
PNG
(CHEMBL29757 | D-Aspartate | D-Aspartic Acid)
Show SMILES N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
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800n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)


Article DOI: 10.1111/j.1476-5381.1988.tb11723.x
BindingDB Entry DOI: 10.7270/Q2Z036NF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM31174
PNG
(CHEMBL29757 | D-Aspartate | D-Aspartic Acid)
Show SMILES N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
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900n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)


Article DOI: 10.1111/j.1476-5381.1988.tb11723.x
BindingDB Entry DOI: 10.7270/Q2Z036NF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM31174
PNG
(CHEMBL29757 | D-Aspartate | D-Aspartic Acid)
Show SMILES N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by PDSP Ki Database




Biochemistry 24: 2401-5 (1985)


Article DOI: 10.1021/bi00331a002
BindingDB Entry DOI: 10.7270/Q2W094FK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM31174
PNG
(CHEMBL29757 | D-Aspartate | D-Aspartic Acid)
Show SMILES N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonistic activity at mGlu1-alpha receptor expressed in CHO cells


J Med Chem 39: 3188-94 (1996)


Article DOI: 10.1021/jm9602569
BindingDB Entry DOI: 10.7270/Q2M909BH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM31174
PNG
(CHEMBL29757 | D-Aspartate | D-Aspartic Acid)
Show SMILES N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonistic activity at mGlu2 receptor expressed in CHO cells


J Med Chem 39: 3188-94 (1996)


Article DOI: 10.1021/jm9602569
BindingDB Entry DOI: 10.7270/Q2M909BH
More data for this
Ligand-Target Pair
Glutamate transporter homolog


(Pyrococcus horikoshii (strain ATCC 700860 / DSM 12...)
BDBM31174
PNG
(CHEMBL29757 | D-Aspartate | D-Aspartic Acid)
Show SMILES N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
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n/an/an/a 10n/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Binding affinity to Pyrococcus horikoshii sodium-coupled aspartate transporter L130W mutant fluorescence-based assay in presence of NaCl


Nature 445: 387-93 (2007)


Article DOI: 10.1038/nature05455
BindingDB Entry DOI: 10.7270/Q29C716Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM31174
PNG
(CHEMBL29757 | D-Aspartate | D-Aspartic Acid)
Show SMILES N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonistic activity at mGlu6 receptor expressed in CHO cells


J Med Chem 39: 3188-94 (1996)


Article DOI: 10.1021/jm9602569
BindingDB Entry DOI: 10.7270/Q2M909BH
More data for this
Ligand-Target Pair