Reaction Details Report a problem with these data
Target
Glutamate receptor ionotropic, NMDA 1/2A
Ligand
BDBM50426000
Substrate
n/a
Meas. Tech.
ChEMBL_934590 (CHEMBL2317551)
IC50
5.0±n/a nM
Citation
 Poulsen, MH; Lucas, S; Bach, TB; Barslund, AF; Wenzler, C; Jensen, CB; Kristensen, AS; Strømgaard, K Structure-activity relationship studies of argiotoxins: selective and potent inhibitors of ionotropic glutamate receptors. J Med Chem 56:1171-81 (2013) [PubMed]  Article 
Target
Name:
Glutamate receptor ionotropic, NMDA 1/2A
Synonyms:
Glutamate NMDA receptor; Grin1/Grin2a | Glutamate [NMDA] receptor subunit epsilon 1/zeta 1
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 141020
Components:
This complex has 2 components.
Component 1
Name:
Glutamate receptor ionotropic, NMDA 2A
Synonyms:
Glutamate NMDA receptor; Grin1/Grin2a | Glutamate [NMDA] receptor subunit epsilon 1 | Grin2a | NMDA receptor subunit N2A (GluN2A) | NMDE1_RAT
Type:
Protein
Mol. Mass.:
165478.25
Organism:
Rattus norvegicus (Rat)
Description:
Q00959
Residue:
1464
Sequence:
MGRLGYWTLLVLPALLVWRDPAQNAAAEKGPPALNIAVLLGHSHDVTERELRNLWGPEQATGLPLDVNVVALLMNRTDPKSLITHVCDLMSGARIHGLVFGDDTDQEAVAQMLDFISSQTFIPILGIHGGASMIMADKDPTSTFFQFGASIQQQATVMLKIMQDYDWHVFSLVTTIFPGYRDFISFIKTTVDNSFVGWDMQNVITLDTSFEDAKTQVQLKKIHSSVILLYCSKDEAVLILSEARSLGLTGYDFFWIVPSLVSGNTELIPKEFPSGLISVSYDDWDYSLEARVRDGLGILTTAASSMLEKFSYIPEAKASCYGQAEKPETPLHTLHQFMVNVTWDGKDLSFTEEGYQVHPRLVVIVLNKDREWEKVGKWENQTLSLRHAVWPRYKSFSDCEPDDNHLSIVTLEEAPFVIVEDIDPLTETCVRNTVPCRKFVKINNSTNEGMNVKKCCKGFCIDILKKLSRTVKFTYDLYLVTNGKHGKKVNNVWNGMIGEVVYQRAVMAVGSLTINEERSEVVDFSVPFVETGISVMVSRSNGTVSPSAFLEPFSASVWVMMFVMLLIVSAIAVFVFEYFSPVGYNRNLAKGKAPHGPSFTIGKAIWLLWGLVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMIQEEFVDQVTGLSDKKFQRPHDYSPPFRFGTVPNGSTERNIRNNYPYMHQYMTRFNQRGVEDALVSLKTGKLDAFIYDAAVLNYKAGRDEGCKLVTIGSGYIFASTGYGIALQKGSPWKRQIDLALLQFVGDGEMEELETLWLTGICHNEKNEVMSSQLDIDNMAGVFYMLAAAMALSLITFIWEHLFYWKLRFCFTGVCSDRPGLLFSISRGIYSCIHGVHIEEKKKSPDFNLTGSQSNMLKLLRSAKNISNMSNMNSSRMDSPKRATDFIQRGSLIVDMVSDKGNLIYSDNRSFQGKDSIFGDNMNELQTFVANRHKDNLSNYVFQGQHPLTLNESNPNTVEVAVSTESKGNSRPRQLWKKSMESLRQDSLNQNPVSQRDEKTAENRTHSLKSPRYLPEEVAHSDISETSSRATCHREPDNNKNHKTKDNFKRSMASKYPKDCSDVDRTYMKTKASSPRDKIYTIDGEKEPSFHLDPPQFVENITLPENVGFPDTYQDHNENFRKGDSTLPMNRNPLHNEDGLPNNDQYKLYAKHFTLKDKGSPHSEGSDRYRQNSTHCRSCLSNLPTYSGHFTMRSPFKCDACLRMGNLYDIDEDQMLQETGNPATREEVYQQDWSQNNALQFQKNKLRINRQHSYDNILDKPREIDLSRPSRSISLKDRERLLEGNLYGSLFSVPSSKLLGNKSSLFPQGLEDSKRSKSLLPDHASDNPFLHTYGDDQRLVIGRCPSDPYKHSLPSQAVNDSYLRSSLRSTASYCSRDSRGHSDVYISEHVMPYAANKNTMYSTPRVLNSCSNRRVYKKMPSIESDV
  
Component 2
Name:
Glutamate receptor ionotropic, NMDA 1
Synonyms:
Glutamate (NMDA) receptor subunit zeta 1 | Glutamate [NMDA] receptor subunit zeta-1 | Glutamate-NMDA-Channel | Glutamate-NMDA-MK801 | Glutamate-NMDA-Polyamine | Grin1 | NMDA | NMDZ1_RAT | Nmdar1 | phencyclidine
Type:
Enzyme Catalytic Domain
Mol. Mass.:
105533.40
Organism:
RAT
Description:
P35439
Residue:
938
Sequence:
MSTMHLLTFALLFSCSFARAACDPKIVNIGAVLSTRKHEQMFREAVNQANKRHGSWKIQLNATSVTHKPNAIQMALSVCEDLISSQVYAILVSHPPTPNDHFTPTPVSYTAGFYRIPVLGLTTRMSIYSDKSIHLSFLRTVPPYSHQSSVWFEMMRVYNWNHIILLVSDDHEGRAAQKRLETLLEERESKAEKVLQFDPGTKNVTALLMEARELEARVIILSASEDDAATVYRAAAMLNMTGSGYVWLVGEREISGNALRYAPDGIIGLQLINGKNESAHISDAVGVVAQAVHELLEKENITDPPRGCVGNTNIWKTGPLFKRVLMSSKYADGVTGRVEFNEDGDRKFANYSIMNLQNRKLVQVGIYNGTHVIPNDRKIIWPGGETEKPRGYQMSTRLKIVTIHQEPFVYVKPTMSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKEIPRSTLDSFMQPFQSTLWLLVGLSVHVVAVMLYLLDRFSPFGRFKVNSEEEEEDALTLSSAMWFSWGVLLNSGIGEGAPRSFSARILGMVWAGFAMIIVASYTANLAAFLVLDRPEERITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDSRSNAPATLTFENMAGVFMLVAGGIVAGIFLIFIEIAYKRHKDARRKQMQLAFAAVNVWRKNLQDRKSGRAEPDPKKKATFRAITSTLASSFKRRRSSKDTSTGGGRGALQNQKDTVLPRRAIEREEGQLQLCSRHRES
  
Inhibitor
Name:
BDBM50426000
Synonyms:
CHEMBL2311573
Type:
Small organic molecule
Emp. Form.:
C31H52N10O4
Mol. Mass.:
628.8092
SMILES:
N[C@H](CCN=C(N)N)C(=O)NCCCCCNCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2ccccc12 |r,wU:27.31,wD:1.0,(62.02,-79.67,;62.01,-81.21,;63.34,-81.98,;64.68,-81.22,;66.01,-81.99,;67.34,-81.22,;68.68,-81.98,;67.34,-79.68,;60.68,-81.97,;60.67,-83.51,;59.35,-81.2,;58.02,-81.97,;56.68,-81.21,;55.35,-81.98,;54.01,-81.22,;52.68,-81.99,;51.34,-81.23,;50.01,-82,;48.68,-81.24,;47.35,-82.01,;46.01,-81.25,;44.67,-82.01,;43.34,-81.24,;42.01,-82,;40.68,-81.23,;39.34,-81.99,;39.33,-83.53,;38.01,-81.22,;38.01,-79.68,;39.35,-78.91,;40.68,-79.69,;39.36,-77.37,;36.67,-81.98,;35.34,-81.21,;35.35,-79.67,;34,-81.97,;32.67,-81.2,;31.26,-81.81,;30.23,-80.66,;31,-79.33,;30.54,-77.88,;31.57,-76.74,;33.07,-77.07,;33.54,-78.53,;32.5,-79.66,)|
Structure:
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