Reaction Details Report a problem with these data
Target
Nitric oxide synthase, brain
Ligand
BDBM50230993
Substrate
n/a
Meas. Tech.
ChEBML_178784
IC50
100±n/a nM
Citation
 Beaton, H; Boughton-Smith, N; Hamley, P; Ghelani, A; Nicholls, DJ; Tinker, AC; Wallace, AV Thienopyridines: nitric oxide synthase inhibitors with potent in vivo activity. Bioorg Med Chem Lett 11:1027-30 (2001) [PubMed]  Article 
Target
Name:
Nitric oxide synthase, brain
Synonyms:
Bnos | N-NOS | NC-NOS | NOS | NOS type I nNOS | NOS1_RAT | Neuronal nitric oxide synthase | Neuronal nitric oxide synthase (nNOS) | Nitric Oxide Synthase, brain | Nitric oxide synthase (nNOS) | Nitric oxide synthase, brain (nNOS) | Nitric-oxide synthase, brain | Nitric-oxide synthase, brain (nNOS) | Nitrogen oxide synthase - neuronal | Nos1 | Peptidyl-cysteine S-nitrosylase NOS1
Type:
Enzyme
Mol. Mass.:
160570.98
Organism:
Rattus norvegicus (rat)
Description:
Recombinant nNOS overexpressed in E. coli was used in enzyme assays.
Residue:
1429
Sequence:
MEENTFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGGAAEQSGLIQAGDIILAVNDRPLVDLSYDSALEVLRGIASETHVVLILRGPEGFTTHLETTFTGDGTPKTIRVTQPLGPPTKAVDLSHQPSASKDQSLAVDRVTGLGNGPQHAQGHGQGAGSVSQANGVAIDPTMKSTKANLQDIGEHDELLKEIEPVLSILNSGSKATNRGGPAKAEMKDTGIQVDRDLDGKSHKAPPLGGDNDRVFNDLWGKDNVPVILNNPYSEKEQSPTSGKQSPTKNGSPSRCPRFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPSQHTRKPEDVRTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPDPWNTHVWKGTNGTPTKRRAIGFKKLAEAVKFSAKLMGQAMAKRVKATILYATETGKSQAYAKTLCEIFKHAFDAKAMSMEEYDIVHLEHEALVLVVTSTFGNGDPPENGEKFGCALMEMRHPNSVQEERKSYKVRFNSVSSYSDSRKSSGDGPDLRDNFESTGPLANVRFSVFGLGSRAYPHFCAFGHAVDTLLEELGGERILKMREGDELCGQEEAFRTWAKKVFKAACDVFCVGDDVNIEKPNNSLISNDRSWKRNKFRLTYVAEAPDLTQGLSNVHKKRVSAARLLSRQNLQSPKFSRSTIFVRLHTNGNQELQYQPGDHLGVFPGNHEDLVNALIERLEDAPPANHVVKVEMLEERNTALGVISNWKDESRLPPCTIFQAFKYYLDITTPPTPLQLQQFASLATNEKEKQRLLVLSKGLQEYEEWKWGKNPTMVEVLEEFPSIQMPATLLLTQLSLLQPRYYSISSSPDMYPDEVHLTVAIVSYHTRDGEGPVHHGVCSSWLNRIQADDVVPCFVRGAPSFHLPRNPQVPCILVGPGTGIAPFRSFWQQRQFDIQHKGMNPCPMVLVFGCRQSKIDHIYREETLQAKNKGVFRELYTAYSREPDRPKKYVQDVLQEQLAESVYRALKEQGGHIYVCGDVTMAADVLKAIQRIMTQQGKLSEEDAGVFISRLRDDNRYHEDIFGVTLRTYEVTNRLRSESIAFIEESKKDADEVFSS
  
Inhibitor
Name:
BDBM50230993
Synonyms:
(2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid | (2S)-2-ammonio-5-{[iminio(methylamino)methyl]amino}pentanoate | (R)-2-Amino-5-(N'-methyl-guanidino)-pentanoic acid | (S)-2-Amino-5-(N'-methyl-guanidino)-pentanoic acid | (S)-2-amino-5-(2-methylguanidino)pentanoic acid | (S)-2-amino-5-(3-methylguanidino)pentanoic acid | 2-Amino-5-(N'-methyl-guanidino)-pentanoic acid | CHEMBL256147 | L-NMMA | N omega-methyl-L-arginine | N(G)-mono-methyl-L-arginine | N(G)-monomethyl-L-arginine | N-Monomethyl-L-arginine | N-gamma-monomethyl-L-arginine | NG-Monomethyl-L-Arginine | NG-monomethyl-L-arginine acetate | Ngamma-monomethyl-L-arginine | Targinine
Type:
Small organic molecule
Emp. Form.:
C7H16N4O2
Mol. Mass.:
188.2275
SMILES:
CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Structure:
Search PDB for entries with ligand similarity: