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TargetNitric-oxide synthase, brain
LigandBDBM50255365
Substrate/Competitorn/a
Meas. Tech.ChEMBL_564978
Ki 14±n/a nM
Citation Lawton, GRRalay Ranaivo, HChico, LKJi, HXue, FMartásek, PRoman, LJWatterson, DMSilverman, RB Analogues of 2-aminopyridine-based selective inhibitors of neuronal nitric oxide synthase with increased bioavailability. Bioorg Med Chem17:2371-80 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Nitric-oxide synthase, brain
Name:Nitric-oxide synthase, brain
Synonyms:N-NOS | NC-NOS | NOS | NOS type I nNOS | Neuronal nitric oxide synthase | Neuronal nitric oxide synthase (nNOS) | Nitric Oxide Synthase, brain | Nitric oxide synthase (nNOS) | Nitric oxide synthase, brain (nNOS) | Nitrogen oxide synthase - neuronal | 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:
MEENTFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGGAAEQSGLIQA
GDIILAVNDRPLVDLSYDSALEVLRGIASETHVVLILRGPEGFTTHLETTFTGDGTPKTI
RVTQPLGPPTKAVDLSHQPSASKDQSLAVDRVTGLGNGPQHAQGHGQGAGSVSQANGVAI
DPTMKSTKANLQDIGEHDELLKEIEPVLSILNSGSKATNRGGPAKAEMKDTGIQVDRDLD
GKSHKAPPLGGDNDRVFNDLWGKDNVPVILNNPYSEKEQSPTSGKQSPTKNGSPSRCPRF
LKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPSQHTRKPEDVRTKDQLFPLAKE
FLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKHAWRNASRCVGRIQ
WSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGKHDFRVWNSQLI
RYAGYKQPDGSTLGDPANVQFTEICIQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPEL
VLEVPIRHPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCD
NSRYNILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATESFIK
HMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPDPWNTHVWKGTN
GTPTKRRAIGFKKLAEAVKFSAKLMGQAMAKRVKATILYATETGKSQAYAKTLCEIFKHA
FDAKAMSMEEYDIVHLEHEALVLVVTSTFGNGDPPENGEKFGCALMEMRHPNSVQEERKS
YKVRFNSVSSYSDSRKSSGDGPDLRDNFESTGPLANVRFSVFGLGSRAYPHFCAFGHAVD
TLLEELGGERILKMREGDELCGQEEAFRTWAKKVFKAACDVFCVGDDVNIEKPNNSLISN
DRSWKRNKFRLTYVAEAPDLTQGLSNVHKKRVSAARLLSRQNLQSPKFSRSTIFVRLHTN
GNQELQYQPGDHLGVFPGNHEDLVNALIERLEDAPPANHVVKVEMLEERNTALGVISNWK
DESRLPPCTIFQAFKYYLDITTPPTPLQLQQFASLATNEKEKQRLLVLSKGLQEYEEWKW
GKNPTMVEVLEEFPSIQMPATLLLTQLSLLQPRYYSISSSPDMYPDEVHLTVAIVSYHTR
DGEGPVHHGVCSSWLNRIQADDVVPCFVRGAPSFHLPRNPQVPCILVGPGTGIAPFRSFW
QQRQFDIQHKGMNPCPMVLVFGCRQSKIDHIYREETLQAKNKGVFRELYTAYSREPDRPK
KYVQDVLQEQLAESVYRALKEQGGHIYVCGDVTMAADVLKAIQRIMTQQGKLSEEDAGVF
ISRLRDDNRYHEDIFGVTLRTYEVTNRLRSESIAFIEESKKDADEVFSS
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  Blast E-value cutoff:
BDBM50255365
NameBDBM50255365
Synonyms:(+/-)-cis-N1-((3S,4S)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)-N2-(3-fluorophenethyl)ethane-1,2-diamine | CHEMBL1277870 | CHEMBL480419 | N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine | N1-{(+/-)-4''-[(6''''-amino-4''''-methylpyridin-2''''-yl)methyl]pyrrolidin-3-yl}-N2-(3''-fluorophenethyl)ethane-1,2-diamine
TypeSmall organic molecule
Emp. Form.C21H30FN5
Mol. Mass.371.4948
SMILESCc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)c1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a