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
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.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Nitric oxide synthase, inducible (Homo sapiens (Human)) | BDBM21959 ((2S)-2-amino-5-carbamimidamidopentanoic acid | ARG...) | 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 | |||||||||||
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...) | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 | J Biol Chem 289: 1377-87 (2014) |