BDBM17661 (2S)-2-amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid::2-amino-3-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)propionic acid::CHEMBL122005::willardiine

SMILES: N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O

InChI Key: InChIKey=FACUYWPMDKTVFU-BYPYZUCNSA-N

Data: 4 KI  1 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer. 12 PDB IDs contain this monomer as substructures. 12 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 6 hits for monomerid = 17661   

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
GRIA1 (Homo sapiens (Human))	BDBM17661 ((2S)-2-amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimi...) Show SMILES N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	386	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells				J Med Chem 40: 3645-50 (1997) Article DOI: 10.1021/jm9702387 BindingDB Entry DOI: 10.7270/Q28G8MCB
					More data for this Ligand-Target Pair				3D Structure (crystal)
GRIA2 (Homo sapiens (Human))	BDBM17661 ((2S)-2-amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimi...) Show SMILES N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	898	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 expressed in HEK293 cells				J Med Chem 40: 3645-50 (1997) Article DOI: 10.1021/jm9702387 BindingDB Entry DOI: 10.7270/Q28G8MCB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic AMPA (Homo sapiens (Human))	BDBM17661 ((2S)-2-amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimi...) Show SMILES N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 expressed in HEK293 cells				J Med Chem 40: 3645-50 (1997) Article DOI: 10.1021/jm9702387 BindingDB Entry DOI: 10.7270/Q28G8MCB
					More data for this Ligand-Target Pair
Grik5 (Homo sapiens (Human))	BDBM17661 ((2S)-2-amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimi...) Show SMILES N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.89E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells				J Med Chem 40: 3645-50 (1997) Article DOI: 10.1021/jm9702387 BindingDB Entry DOI: 10.7270/Q28G8MCB
					More data for this Ligand-Target Pair
Glutamate Carboxypeptidase II (GCPII) (Homo sapiens (Human))	BDBM17661 ((2S)-2-amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimi...) Show SMILES N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	7.4	37
NCI-FCRDC					Assay Description The inhibition concentration values of GCPII were determined using the radioenzymatic assay with [3H] NAAG (radiolabeled on the terminal glutamate). ...				J Med Chem 50: 3267-73 (2007) Article DOI: 10.1021/jm070133w BindingDB Entry DOI: 10.7270/Q29C6VPS
					More data for this Ligand-Target Pair
Glutamate receptor 1 (Rattus norvegicus (Rat))	BDBM17661 ((2S)-2-amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimi...) Show SMILES N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL					Assay Description Agonist activity at cyclothiazide-desensitized rat recombinant flop iGluR1 expressed in Xenopus laevis oocytes by two electrode voltage-clamp electro...				J Med Chem 51: 6614-8 (2008) Article DOI: 10.1021/jm800865a BindingDB Entry DOI: 10.7270/Q261117R
					More data for this Ligand-Target Pair