Reaction Details Report a problem with these data
Target
Nitric oxide synthase, brain [D597N,M336V]
Ligand
BDBM29234
Substrate
BDBM21959
Meas. Tech.
NOS Enzyme Inhibition Assay
pH
7.5±n/a
Temperature
303.15±n/a K
Ki
1200±n/a nM
Citation
 Igarashi, J; Li, H; Jamal, J; Ji, H; Fang, J; Lawton, GR; Silverman, RB; Poulos, TL Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors. J Med Chem 52:2060-6 (2009) [PubMed]  Article 
Target
Name:
Nitric oxide synthase, brain [D597N,M336V]
Synonyms:
Bnos | NOS1_RAT | Nitric Oxide Synthase, brain Mutant (D597N/M336V) | Nos1 | nNOS D597N/M336V double mutant
Type:
Enzyme
Mol. Mass.:
160538.94
Organism:
Rattus norvegicus (rat)
Description:
Recombinant nNOS double mutant overexpressed in E. coli was used in enzyme assays.
Residue:
1429
Sequence:
MEENTFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGGAAEQSGLIQAGDIILAVNDRPLVDLSYDSALEVLRGIASETHVVLILRGPEGFTTHLETTFTGDGTPKTIRVTQPLGPPTKAVDLSHQPSASKDQSLAVDRVTGLGNGPQHAQGHGQGAGSVSQANGVAIDPTMKSTKANLQDIGEHDELLKEIEPVLSILNSGSKATNRGGPAKAEMKDTGIQVDRDLDGKSHKAPPLGGDNDRVFNDLWGKDNVPVILNNPYSEKEQSPTSGKQSPTKNGSPSRCPRFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIVLPSQHTRKPEDVRTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRNYCDNSRYNILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPDPWNTHVWKGTNGTPTKRRAIGFKKLAEAVKFSAKLMGQAMAKRVKATILYATETGKSQAYAKTLCEIFKHAFDAKAMSMEEYDIVHLEHEALVLVVTSTFGNGDPPENGEKFGCALMEMRHPNSVQEERKSYKVRFNSVSSYSDSRKSSGDGPDLRDNFESTGPLANVRFSVFGLGSRAYPHFCAFGHAVDTLLEELGGERILKMREGDELCGQEEAFRTWAKKVFKAACDVFCVGDDVNIEKPNNSLISNDRSWKRNKFRLTYVAEAPDLTQGLSNVHKKRVSAARLLSRQNLQSPKFSRSTIFVRLHTNGNQELQYQPGDHLGVFPGNHEDLVNALIERLEDAPPANHVVKVEMLEERNTALGVISNWKDESRLPPCTIFQAFKYYLDITTPPTPLQLQQFASLATNEKEKQRLLVLSKGLQEYEEWKWGKNPTMVEVLEEFPSIQMPATLLLTQLSLLQPRYYSISSSPDMYPDEVHLTVAIVSYHTRDGEGPVHHGVCSSWLNRIQADDVVPCFVRGAPSFHLPRNPQVPCILVGPGTGIAPFRSFWQQRQFDIQHKGMNPCPMVLVFGCRQSKIDHIYREETLQAKNKGVFRELYTAYSREPDRPKKYVQDVLQEQLAESVYRALKEQGGHIYVCGDVTMAADVLKAIQRIMTQQGKLSEEDAGVFISRLRDDNRYHEDIFGVTLRTYEVTNRLRSESIAFIEESKKDADEVFSS
  
Inhibitor
Name:
BDBM29234
Synonyms:
CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrolidine, 6
Type:
Small organic molecule
Emp. Form.:
C20H28ClN5
Mol. Mass.:
373.923
SMILES:
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)c1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM21959
Synonyms:
(2S)-2-amino-5-carbamimidamidopentanoic acid | ARGININE | CHEMBL1485 | L-arginine
Type:
Amino Acid
Emp. Form.:
C6H14N4O2
Mol. Mass.:
174.201
SMILES:
[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
Structure:
Search PDB for entries with ligand similarity: