BindingDB PrimarySearch

BDBM21959 (2S)-2-amino-5-carbamimidamidopentanoic acid::ARGININE::CHEMBL1485::L-arginine

SMILES: [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=ODKSFYDXXFIFQN-BYPYZUCNSA-N

Data: 2 Kd 1 ITC

PDB links: 71 PDB IDs match this monomer. 31 PDB IDs contain this monomer as substructures. 31 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 21959
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM21959 ((2S)-2-amino-5-carbamimidamidopentanoic acid \| ARG...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity to truncated iNOS construct (1-490) by spectral assay				J Med Chem 51: 924-31 (2008) Article DOI: 10.1021/jm701119v BindingDB Entry DOI: 10.7270/Q2639QMP
University of California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM21959 ((2S)-2-amino-5-carbamimidamidopentanoic acid \| ARG...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
University of Utrecht Curated by ChEMBL					Assay Description Binding affinity to iNOS with heme domain construct (unknown origin) assessed as spectral binding constant by spectral assay				Bioorg Med Chem Lett 19: 1758-62 (2009) Article DOI: 10.1016/j.bmcl.2009.01.076 BindingDB Entry DOI: 10.7270/Q2P55NC7
University of Utrecht Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 21959
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
LysP-related transporter STM2200 (STM2200) (Salmonella typhimurium)	BDBM21959 ((2S)-2-amino-5-carbamimidamidopentanoic acid \| ARG...)	GoogleScholar	CHEBI MMDB PC cid PC sid PDB		n/a	n/a	38.2	n/a	5.90	44.5
Max Planck Institute of Biophysics		GoogleScholar	CHEBI MMDB PC cid PC sid PDB		J Biol Chem 289: 1377-87 (2014)