Reaction Details |
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Target | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 |
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Ligand | BDBM34133 |
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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 | 39300±35000 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 |
Synonyms: | AT2A1_RABIT | ATP2A1 | Sarco/endoplasmic Reticulum Ca2+ ATPase 1 | Sarcoplasmic/endoplasmic reticulum calcium ATP-ase |
Type: | PROTEIN |
Mol. Mass.: | 110435.34 |
Organism: | Oryctolagus cuniculus |
Description: | ChEMBL_1500621 |
Residue: | 1001 |
Sequence: | MEAAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFEDL
LVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALK
EYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSIL
TGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMA
ATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAV
ALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQ
MSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALC
NDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMK
KEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGP
VKEKILSVIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGML
DPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDD
LPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAM
GSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAA
LGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAI
GGYVGAATVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMA
LSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLK
ALDLTQWLMVLKISLPVIGLDEILKFIARNYLEDPEDERRK
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BDBM34133 |
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BDBM2 |
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Name | BDBM34133 |
Synonyms: | 4,4-butane-2,2-diylbis(2-methylphenol), 5c |
Type | Small organic molecule |
Emp. Form. | C18H22O2 |
Mol. Mass. | 270.3661 |
SMILES | CCC(C)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 |
Structure |
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