| Reaction Details |
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 | Report a problem with these data |
| Target | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 |
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| Ligand | BDBM34111 |
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| Substrate/Competitor | BDBM2 |
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| Meas. Tech. | Determination of Inhibitory Potencies by Coupled ATPase Activity Assay |
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| pH | 7.3±n/a |
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| Temperature | 310.15±n/a K |
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| IC50 | 20200±7900 nM |
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| Citation |  Deye, J; Elam, C; Lape, M; Ratliff, R; Evans, K; Paula, S Structure-based virtual screening for novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase and their experimental evaluation. Bioorg Med Chem17:1353-60 (2009) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 |
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| Name: | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 |
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| Synonyms: | AT2A1_RABIT | ATP2A1 | Sarco/endoplasmic Reticulum Ca2+ ATPase 1 | Sarcoplasmic/endoplasmic reticulum calcium ATP-ase |
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| Type: | PROTEIN |
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| Mol. Mass.: | 110435.34 |
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| Organism: | Oryctolagus cuniculus |
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| Description: | ChEMBL_1500621 |
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| Residue: | 1001 |
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| Sequence: | MEAAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFEDL
LVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALK
EYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSIL
TGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMA
ATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAV
ALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQ
MSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALC
NDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMK
KEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGP
VKEKILSVIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGML
DPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDD
LPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAM
GSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAA
LGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAI
GGYVGAATVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMA
LSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLK
ALDLTQWLMVLKISLPVIGLDEILKFIARNYLEDPEDERRK
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| BDBM34111 |
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| BDBM2 |
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| Name | BDBM34111 |
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| Synonyms: | BMC171353 Compound 6b | hydroquinone derivative, 2a |
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| Type | Small organic molecule |
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| Emp. Form. | C13H12O2 |
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| Mol. Mass. | 200.2332 |
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| SMILES | Oc1ccc(O)c(Cc2ccccc2)c1 |
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| Structure | 
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