| Reaction Details |
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 | Report a problem with these data |
| Target | Glutamate receptor ionotropic, NMDA 1/2B |
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| Ligand | BDBM50080029 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_141936 |
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| IC50 | 9±n/a nM |
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| Citation |  Tamiz, AP; Whittemore, ER; Woodward, RM; Upasani, RB; Keana, JF Structure-activity relationship for a series of 2-substituted 1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indoles: potent subtype-selective inhibitors of N-methyl-D-aspartate (NMDA) receptors. Bioorg Med Chem Lett9:1619-24 (1999) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Glutamate receptor ionotropic, NMDA 1/2B |
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| Name: | Glutamate receptor ionotropic, NMDA 1/2B |
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| Synonyms: | Glutamate NMDA receptor; Grin1/Grin2b | Glutamate [NMDA] receptor subunit epsilon 2/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 141026 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Glutamate receptor ionotropic, NMDA 2B |
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| Synonyms: | GluN2B | Glutamate [NMDA] receptor subunit epsilon 2 | Grin2b | N-methyl D-aspartate receptor subtype 2B | NMDA receptor subunit N2B (GluN2B) | NMDAR2B | NMDE2_RAT | NR2B |
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| Type: | Protein |
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| Mol. Mass.: | 166077.66 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | Q00960 |
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| Residue: | 1482 |
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| Sequence: | MKPSAECCSPKFWLVLAVLAVSGSKARSQKSPPSIGIAVILVGTSDEVAIKDAHEKDDFH
HLSVVPRVELVAMNETDPKSIITRICDLMSDRKIQGVVFADDTDQEAIAQILDFISAQTL
TPILGIHGGSSMIMADKDESSMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQ
DFVNKIRSTIENSFVGWELEEVLLLDMSLDDGDSKIQNQLKKLQSPIILLYCTKEEATYI
FEVANSVGLTGYGYTWIVPSLVAGDTDTVPSEFPTGLISVSYDEWDYGLPARVRDGIAII
TTAASDMLSEHSFIPEPKSSCYNTHEKRIYQSNMLNRYLINVTFEGRNLSFSEDGYQMHP
KLVIILLNKERKWERVGKWKDKSLQMKYYVWPRMCPETEEQEDDHLSIVTLEEAPFVIVE
SVDPLSGTCMRNTVPCQKRIISENKTDEEPGYIKKCCKGFCIDILKKISKSVKFTYDLYL
VTNGKHGKKINGTWNGMIGEVVMKRAYMAVGSLTINEERSEVVDFSVPFIETGISVMVSR
SNGTVSPSAFLEPFSADVWVMMFVMLLIVSAVAVFVFEYFSPVGYNRCLADGREPGGPSF
TIGKAIWLLWGLVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMIQEEYV
DQVSGLSDKKFQRPNDFSPPFRFGTVPNGSTERNIRNNYAEMHAYMGKFNQRGVDDALLS
LKTGKLDAFIYDAAVLNYMAGRDEGCKLVTIGSGKVFASTGYGIAIQKDSGWKRQVDLAI
LQLFGDGEMEELEALWLTGICHNEKNEVMSSQLDIDNMAGVFYMLGAAMALSLITFICEH
LFYWQFRHCFMGVCSGKPGMVFSISRGIYSCIHGVAIEERQSVMNSPTATMNNTHSNILR
LLRTAKNMANLSGVNGSPQSALDFIRRESSVYDISEHRRSFTHSDCKSYNNPPCEENLFS
DYISEVERTFGNLQLKDSNVYQDHYHHHHRPHSIGSTSSIDGLYDCDNPPFTTQPRSISK
KPLDIGLPSSKHSQLSDLYGKFSFKSDRYSGHDDLIRSDVSDISTHTVTYGNIEGNAAKR
RKQQYKDSLKKRPASAKSRREFDEIELAYRRRPPRSPDHKRYFRDKEGLRDFYLDQFRTK
ENSPHWEHVDLTDIYKERSDDFKRDSVSGGGPCTNRSHLKHGTGEKHGVVGGVPAPWEKN
LTNVDWEDRSGGNFCRSCPSKLHNYSSTVAGQNSGRQACIRCEACKKAGNLYDISEDNSL
QELDQPAAPVAVTSNASSTKYPQSPTNSKAQKKNRNKLRRQHSYDTFVDLQKEEAALAPR
SVSLKDKGRFMDGSPYAHMFEMPAGESSFANKSSVPTAGHHHNNPGSGYMLSKSLYPDRV
TQNPFIPTFGDDQCLLHGSKSYFFRQPTVAGASKTRPDFRALVTNKPVVVTLHGAVPGRF
QKDICIGNQSNPCVPNNKNPRAFNGSSNGHVYEKLSSIESDV
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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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| BDBM50080029 |
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| n/a |
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| Name | BDBM50080029 |
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| Synonyms: | 4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl)phenol | 4-[(1R,2S)-3-(4-Benzyl-piperidin-1-yl)-1-hydroxy-2-methyl-propyl]-phenol | 4-[(R)-3-(4-Benzyl-piperidin-1-yl)-1-(S)-hydroxy-2-methyl-propyl]-phenol | CHEMBL305195 | Ro 25-6981 | Ro-25-6981 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H29NO2 |
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| Mol. Mass. | 339.4712 |
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| SMILES | C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 |r| |
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| Structure | 
|
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