BDBM7953 (2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid::Histidine::Imidazole C-4(5) deriv. 5::L-2-Amino-3-(4-imidazolyl)propionic acid::L-Histidine

SMILES: N[C@@H](Cc1cnc[nH]1)C(O)=O

InChI Key: InChIKey=HNDVDQJCIGZPNO-YFKPBYRVSA-N

Data: 1 KI  1 Kd  1 ITC

PDB links: 1 PDB ID matches this monomer. 4 PDB IDs contain this monomer as substructures. 21 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 2 hits for monomerid = 7953   

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
Glutaminyl Cyclase (Homo sapiens (Human))	BDBM7953 ((2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid | ...) Show SMILES N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Probiodrug AG					Assay Description QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...				J Biol Chem 278: 49773-9 (2003) Article DOI: 10.1074/jbc.M309077200 BindingDB Entry DOI: 10.7270/Q2513WDS
					More data for this Ligand-Target Pair
Histidine-binding periplasmic protein (HisJ) (Escherichia coli (Enterobacteria))	BDBM7953 ((2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid | ...) Show SMILES N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1	PDB GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	114	n/a	n/a	n/a	7.0	30
University of Calgary					Assay Description All ITC experiments were performed using a Microcal VP-ITC microcalorimeter (GE Healthcare). All samples were prepared in a buffer containing 20 mM H...				J Biol Chem 288: 31409-22 (2013) Article DOI: 10.1074/jbc.M113.490441 BindingDB Entry DOI: 10.7270/Q2862F9B
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 7953

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Histidine-binding periplasmic protein (HisJ) (Escherichia coli (Enterobacteria))	BDBM7953 ((2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid | ...)	GoogleScholar PDB	CHEBI DrugBank MMDB PC cid PC sid PDB		-8.39	5.50	-14.6	6.05	7	30
University of Calgary					J Biol Chem 288: 31409-22 (2013)