| Reaction Details |
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 | Report a problem with these data |
| Target | Glutamate receptor ionotropic, NMDA 1/2A |
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| Ligand | BDBM50180890 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1585156 (CHEMBL3820804) |
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| IC50 | 10900±n/a nM |
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| Citation |  Slavikova, B; Chodounska, H; Nekardova, M; Vyklicky, V; Ladislav, M; Hubalkova, P; Krausova, B; Vyklicky, L; Kudova, E Neurosteroid-like Inhibitors of N-Methyl-d-aspartate Receptor: Substituted 2-Sulfates and 2-Hemisuccinates of Perhydrophenanthrene. J Med Chem59:4724-39 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Glutamate receptor ionotropic, NMDA 1/2A |
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| Name: | Glutamate receptor ionotropic, NMDA 1/2A |
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| Synonyms: | Glutamate NMDA receptor; Grin1/Grin2a | Glutamate [NMDA] receptor subunit epsilon 1/zeta 1 |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 141020 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Glutamate receptor ionotropic, NMDA 2A |
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| Synonyms: | Glutamate NMDA receptor; Grin1/Grin2a | Glutamate [NMDA] receptor subunit epsilon 1 | Grin2a | NMDA receptor subunit N2A (GluN2A) | NMDE1_RAT |
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| Type: | Protein |
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| Mol. Mass.: | 165478.25 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | Q00959 |
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| Residue: | 1464 |
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| Sequence: | MGRLGYWTLLVLPALLVWRDPAQNAAAEKGPPALNIAVLLGHSHDVTERELRNLWGPEQA
TGLPLDVNVVALLMNRTDPKSLITHVCDLMSGARIHGLVFGDDTDQEAVAQMLDFISSQT
FIPILGIHGGASMIMADKDPTSTFFQFGASIQQQATVMLKIMQDYDWHVFSLVTTIFPGY
RDFISFIKTTVDNSFVGWDMQNVITLDTSFEDAKTQVQLKKIHSSVILLYCSKDEAVLIL
SEARSLGLTGYDFFWIVPSLVSGNTELIPKEFPSGLISVSYDDWDYSLEARVRDGLGILT
TAASSMLEKFSYIPEAKASCYGQAEKPETPLHTLHQFMVNVTWDGKDLSFTEEGYQVHPR
LVVIVLNKDREWEKVGKWENQTLSLRHAVWPRYKSFSDCEPDDNHLSIVTLEEAPFVIVE
DIDPLTETCVRNTVPCRKFVKINNSTNEGMNVKKCCKGFCIDILKKLSRTVKFTYDLYLV
TNGKHGKKVNNVWNGMIGEVVYQRAVMAVGSLTINEERSEVVDFSVPFVETGISVMVSRS
NGTVSPSAFLEPFSASVWVMMFVMLLIVSAIAVFVFEYFSPVGYNRNLAKGKAPHGPSFT
IGKAIWLLWGLVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMIQEEFVD
QVTGLSDKKFQRPHDYSPPFRFGTVPNGSTERNIRNNYPYMHQYMTRFNQRGVEDALVSL
KTGKLDAFIYDAAVLNYKAGRDEGCKLVTIGSGYIFASTGYGIALQKGSPWKRQIDLALL
QFVGDGEMEELETLWLTGICHNEKNEVMSSQLDIDNMAGVFYMLAAAMALSLITFIWEHL
FYWKLRFCFTGVCSDRPGLLFSISRGIYSCIHGVHIEEKKKSPDFNLTGSQSNMLKLLRS
AKNISNMSNMNSSRMDSPKRATDFIQRGSLIVDMVSDKGNLIYSDNRSFQGKDSIFGDNM
NELQTFVANRHKDNLSNYVFQGQHPLTLNESNPNTVEVAVSTESKGNSRPRQLWKKSMES
LRQDSLNQNPVSQRDEKTAENRTHSLKSPRYLPEEVAHSDISETSSRATCHREPDNNKNH
KTKDNFKRSMASKYPKDCSDVDRTYMKTKASSPRDKIYTIDGEKEPSFHLDPPQFVENIT
LPENVGFPDTYQDHNENFRKGDSTLPMNRNPLHNEDGLPNNDQYKLYAKHFTLKDKGSPH
SEGSDRYRQNSTHCRSCLSNLPTYSGHFTMRSPFKCDACLRMGNLYDIDEDQMLQETGNP
ATREEVYQQDWSQNNALQFQKNKLRINRQHSYDNILDKPREIDLSRPSRSISLKDRERLL
EGNLYGSLFSVPSSKLLGNKSSLFPQGLEDSKRSKSLLPDHASDNPFLHTYGDDQRLVIG
RCPSDPYKHSLPSQAVNDSYLRSSLRSTASYCSRDSRGHSDVYISEHVMPYAANKNTMYS
TPRVLNSCSNRRVYKKMPSIESDV
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| Component 2 |
| Name: | Glutamate receptor ionotropic, NMDA 1 |
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| 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 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 105533.40 |
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| Organism: | RAT |
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| Description: | P35439 |
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| Residue: | 938 |
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| Sequence: | MSTMHLLTFALLFSCSFARAACDPKIVNIGAVLSTRKHEQMFREAVNQANKRHGSWKIQL
NATSVTHKPNAIQMALSVCEDLISSQVYAILVSHPPTPNDHFTPTPVSYTAGFYRIPVLG
LTTRMSIYSDKSIHLSFLRTVPPYSHQSSVWFEMMRVYNWNHIILLVSDDHEGRAAQKRL
ETLLEERESKAEKVLQFDPGTKNVTALLMEARELEARVIILSASEDDAATVYRAAAMLNM
TGSGYVWLVGEREISGNALRYAPDGIIGLQLINGKNESAHISDAVGVVAQAVHELLEKEN
ITDPPRGCVGNTNIWKTGPLFKRVLMSSKYADGVTGRVEFNEDGDRKFANYSIMNLQNRK
LVQVGIYNGTHVIPNDRKIIWPGGETEKPRGYQMSTRLKIVTIHQEPFVYVKPTMSDGTC
KEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVA
DGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTI
LVKKEIPRSTLDSFMQPFQSTLWLLVGLSVHVVAVMLYLLDRFSPFGRFKVNSEEEEEDA
LTLSSAMWFSWGVLLNSGIGEGAPRSFSARILGMVWAGFAMIIVASYTANLAAFLVLDRP
EERITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQA
VRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSH
ENGFMEDLDKTWVRYQECDSRSNAPATLTFENMAGVFMLVAGGIVAGIFLIFIEIAYKRH
KDARRKQMQLAFAAVNVWRKNLQDRKSGRAEPDPKKKATFRAITSTLASSFKRRRSSKDT
STGGGRGALQNQKDTVLPRRAIEREEGQLQLCSRHRES
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| BDBM50180890 |
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| n/a |
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| Name | BDBM50180890 |
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| Synonyms: | CHEMBL3818694 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H33NO4S |
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| Mol. Mass. | 395.556 |
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| SMILES | c1ccncc1.[H][C@@]12CC[C@]3([H])C[C@@H](CC[C@]3(C)[C@@]1([H])CC[C@@H](C)C2)OS(O)(=O)=O |r| |
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| Structure | 
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