Reaction Details |
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Target | Nitric oxide synthase, brain |
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Ligand | BDBM22030 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_552452 (CHEMBL1002712) |
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Ki | 130±n/a nM |
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Citation | Castaño, T; Encinas, A; Pérez, C; Castro, A; Campillo, NE; Gil, C Design, synthesis, and evaluation of potential inhibitors of nitric oxide synthase. Bioorg Med Chem16:6193-206 (2008) [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: | Constitutive NOS | N-NOS | NC-NOS | NOS type I | NOS type I nNOS | NOS1 | NOS1_HUMAN | Neuronal NOS | Neuronal nitric oxide synthase | Nitric oxide synthase, brain (nNOS) | Nitric oxide synthase, neuronal (nNOS) | Peptidyl-cysteine S-nitrosylase NOS1 | bNOS | nNOS |
Type: | Homodimer |
Mol. Mass.: | 160985.98 |
Organism: | Homo sapiens (Human) |
Description: | P29475 |
Residue: | 1434 |
Sequence: | MEDHMFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGGAAEQSGLIQA
GDIILAVNGRPLVDLSYDSALEVLRGIASETHVVLILRGPEGFTTHLETTFTGDGTPKTI
RVTQPLGPPTKAVDLSHQPPAGKEQPLAVDGASGPGNGPQHAYDDGQEAGSLPHANGLAP
RPPGQDPAKKATRVSLQGRGENNELLKEIEPVLSLLTSGSRGVKGGAPAKAEMKDMGIQV
DRDLDGKSHKPLPLGVENDRVFNDLWGKGNVPVVLNNPYSEKEQPPTSGKQSPTKNGSPS
KCPRFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHPSQHARRPEDVRTKGQLF
PLAKEFIDQYYSSIKRFGSKAHMERLEEVNKEIDTTSTYQLKDTELIYGAKHAWRNASRC
VGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGKHDFRVW
NSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQGWKPPRGRFDVLPLLLQANGNDPELFQ
IPPELVLEVPIRHPKFEWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGV
RDYCDNSRYNILEEVAKKMNLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSAT
ESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPDPWNTHV
WKGTNGTPTKRRAIGFKKLAEAVKFSAKLMGQAMAKRVKATILYATETGKSQAYAKTLCE
IFKHAFDAKVMSMEEYDIVHLEHETLVLVVTSTFGNGDPPENGEKFGCALMEMRHPNSVQ
EERKSYKVRFNSVSSYSDSQKSSGDGPDLRDNFESAGPLANVRFSVFGLGSRAYPHFCAF
GHAVDTLLEELGGERILKMREGDELCGQEEAFRTWAKKVFKAACDVFCVGDDVNIEKANN
SLISNDRSWKRNKFRLTFVAEAPELTQGLSNVHKKRVSAARLLSRQNLQSPKSSRSTIFV
RLHTNGSQELQYQPGDHLGVFPGNHEDLVNALIERLEDAPPVNQMVKVELLEERNTALGV
ISNWTDELRLPPCTIFQAFKYYLDITTPPTPLQLQQFASLATSEKEKQRLLVLSKGLQEY
EEWKWGKNPTIVEVLEEFPSIQMPATLLLTQLSLLQPRYYSISSSPDMYPDEVHLTVAIV
SYRTRDGEGPIHHGVCSSWLNRIQADELVPCFVRGAPSFHLPRNPQVPCILVGPGTGIAP
FRSFWQQRQFDIQHKGMNPCPMVLVFGCRQSKIDHIYREETLQAKNKGVFRELYTAYSRE
PDKPKKYVQDILQEQLAESVYRALKEQGGHIYVCGDVTMAADVLKAIQRIMTQQGKLSAE
DAGVFISRMRDDNRYHEDIFGVTLRTYEVTNRLRSESIAFIEESKKDTDEVFSS
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BDBM22030 |
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n/a |
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Name | BDBM22030 |
Synonyms: | (2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)propyl]-5-{[(E)-imino(nitroamino)methyl]amino}pentanamide | (2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)propyl]-5-{[(Z)-imino(nitroamino)methyl]amino}pentanamide | (2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)propyl]-5-{[imino(nitroamino)methyl]amino}pentanamide | (2S)-2-amino-N-[(1S)-3-amino-1-carbamoylpropyl]-5-(1-nitrocarbamimidamido)pentanamide | CHEMBL1204421 | CHEMBL44833 | CHEMBL481413 | JMC522060 Compound 1 | L-Arg NO2-L-Dbu-NH2 | L-N(OMEGA)-NITROARGININE-2,4-L-DIAMINOBUTYRIC AMIDE | L-Nomega-nitroarginine-2,4-L-diaminobutyramide | dipeptide amide inhibitor I |
Type | Small organic molecule |
Emp. Form. | C10H22N8O4 |
Mol. Mass. | 318.3329 |
SMILES | NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:12.11| |
Structure |
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