Reaction Details |
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Target | Nitric oxide synthase, brain |
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Ligand | BDBM50438645 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_976155 (CHEMBL2415804) |
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Ki | 86±n/a nM |
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Citation | Jing, Q; Li, H; Fang, J; Roman, LJ; Martásek, P; Poulos, TL; Silverman, RB In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures. Bioorg Med Chem21:5323-31 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Nitric oxide synthase, brain |
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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: | 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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BDBM50438645 |
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n/a |
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Name | BDBM50438645 |
Synonyms: | CHEMBL2414428 |
Type | Small organic molecule |
Emp. Form. | C19H28N4 |
Mol. Mass. | 312.4524 |
SMILES | Cc1cc(N)nc(CCCCCCCc2cc(C)cc(N)n2)c1 |
Structure |
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