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Target
Nitric oxide synthase, brain
Ligand
BDBM50414552
Substrate
n/a
Meas. Tech.
ChEMBL_581707 (CHEMBL1058905)
IC50
5800±n/a nM
Citation
 Tapiolas, DM; Bowden, BF; Abou-Mansour, E; Willis, RH; Doyle, JR; Muirhead, AN; Liptrot, C; Llewellyn, LE; Wolff, CW; Wright, AD; Motti, CA Eusynstyelamides A, B, and C, nNOS inhibitors, from the ascidian Eusynstyela latericius. J Nat Prod 72:1115-20 (2009) [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:
BDBM50414552
Synonyms:
CHEMBL2021548
Type:
Small organic molecule
Emp. Form.:
C33H42Br2N10O4
Mol. Mass.:
802.559
SMILES:
NC(N)=NCCCCNC(=O)[C@@]1(O)[C@H](Cc2c[nH]c3cc(Br)ccc23)[C@](O)(Cc2c[nH]c3cc(Br)ccc23)C(=O)N1CCCCN=C(N)N |r,wU:11.10,25.27,wD:13.13,25.28,11.11,(16.15,-36.99,;15.31,-35.7,;16.01,-34.33,;13.77,-35.78,;12.93,-34.49,;11.39,-34.57,;10.56,-33.28,;9.02,-33.36,;8.18,-32.07,;6.64,-32.15,;5.94,-33.52,;5.8,-30.85,;7.29,-30.46,;4.32,-31.25,;4.23,-32.79,;3.15,-33.88,;4.68,-34.04,;5,-35.55,;3.66,-36.32,;3.34,-37.82,;1.88,-38.3,;1.48,-39.79,;.73,-37.27,;1.05,-35.76,;2.52,-35.29,;3.48,-29.96,;2.71,-28.63,;1.94,-29.88,;1.17,-31.21,;1.8,-32.62,;.65,-33.65,;-.68,-32.88,;-2.15,-33.36,;-3.29,-32.33,;-4.76,-32.8,;-2.97,-30.82,;-1.51,-30.35,;-.36,-31.38,;4.45,-28.76,;4.05,-27.28,;5.88,-29.32,;7.18,-28.48,;8.51,-29.25,;9.84,-28.48,;11.18,-29.25,;12.51,-28.48,;13.84,-29.25,;15.18,-28.48,;13.84,-30.79,)|
Structure:
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