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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.

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 = 21959   
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
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM21959
PNG
((2S)-2-amino-5-carbamimidamidopentanoic acid | ARG...)
Show SMILES N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
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MMDB

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CHEBI
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 7.00E+3n/an/an/an/an/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
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM21959
PNG
((2S)-2-amino-5-carbamimidamidopentanoic acid | ARG...)
Show SMILES N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
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CHEBI
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 7.00E+3n/an/an/an/an/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
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 KpHTemp
°C
LysP-related transporter STM2200 (STM2200)

(Salmonella typhimurium)
BDBM21959
JPEG
((2S)-2-amino-5-carbamimidamidopentanoic acid | ARG...)
GoogleScholar
CHEBI
MMDB
PC cid
PC sid
PDB
n/an/a38.2n/a5.9044.5



Max Planck Institute of Biophysics





J Biol Chem 289: 1377-87 (2014)