Reaction Details Report a problem with these data
Target
Nitric oxide synthase, brain
Ligand
BDBM106699
Substrate
n/a
Meas. Tech.
ChEMBL_807647 (CHEMBL1960209)
IC50
2600±n/a nM
Citation
 Annedi, SC; Maddaford, SP; Ramnauth, J; Renton, P; Speed, J; Rakhit, S; Andrews, JS; Porreca, F 3,5-Disubstituted indole derivatives as selective human neuronal nitric oxide synthase (nNOS) inhibitors. Bioorg Med Chem Lett 22:1980-4 (2012) [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:
BDBM106699
Synonyms:
CHEMBL1957350 | US8586620, 46
Type:
Small organic molecule
Emp. Form.:
C19H20N4O
Mol. Mass.:
320.3883
SMILES:
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4|
Structure:
Search PDB for entries with ligand similarity: