| Reaction Details |
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 | Report a problem with these data |
| Target | Palmitoleoyl-protein carboxylesterase NOTUM |
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| Ligand | BDBM10849 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2263969 |
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| IC50 | 19000±n/a nM |
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| Citation |  Faudone, G; Arifi, S; Merk, D The Medicinal Chemistry of Caffeine. J Med Chem64:7156-7178 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Palmitoleoyl-protein carboxylesterase NOTUM |
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| Name: | Palmitoleoyl-protein carboxylesterase NOTUM |
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| Synonyms: | NOTUM | NOTUM_HUMAN | Palmitoleoyl-protein carboxylesterase NOTUM | hNOTUM |
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| Type: | PROTEIN |
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| Mol. Mass.: | 55706.36 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_116492 |
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| Residue: | 496 |
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| Sequence: | MGRGVRVLLLLSLLHCAGGSEGRKTWRRRGQQPPPPPRTEAAPAAGQPVESFPLDFTAVE
GNMDSFMAQVKSLAQSLYPCSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRW
LLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFI
PYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLL
NVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNG
VVPERCRRQFQEGEEWNCFFGYKVYPTLRCPVFVVQWLFDEAQLTVDNVHLTGQPVQEGL
RLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHD
SHKASKTPLKGCPVHLVDSCPWPHCNPSCPTVRDQFTGQEMNVAQFLMHMGFDMQTVAQP
QGLEPSELLGMLSNGS
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| BDBM10849 |
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| n/a |
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| Name | BDBM10849 |
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| Synonyms: | 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione | 1,3,7-trimethyl-3,7-dihydropurine-2,6-dione | CHEMBL113 | Caffeine (1,3,7-trimethylxanthine) | caffeine |
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| Type | Small organic molecule |
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| Emp. Form. | C8H10N4O2 |
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| Mol. Mass. | 194.1906 |
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| SMILES | Cn1cnc2n(C)c(=O)n(C)c(=O)c12 |
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| Structure | 
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