Reaction Details |
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Target | Nucleoside triphosphate diphosphohydrolase 3 |
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Ligand | BDBM50029031 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_612641 (CHEMBL1065678) |
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Ki | 1100±n/a nM |
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Citation | Baqi, Y; Lee, SY; Iqbal, J; Ripphausen, P; Lehr, A; Scheiff, AB; Zimmermann, H; Bajorath, J; Müller, CE Development of potent and selective inhibitors of ecto-5'-nucleotidase based on an anthraquinone scaffold. J Med Chem53:2076-86 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Nucleoside triphosphate diphosphohydrolase 3 |
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Name: | Nucleoside triphosphate diphosphohydrolase 3 |
Synonyms: | Ectonucleoside triphosphate diphosphohydrolase 3, isoform CRA_a | Protein Entpd3 |
Type: | PROTEIN |
Mol. Mass.: | 59110.31 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_612641 |
Residue: | 529 |
Sequence: | MFTVMTRQPCEQAGFRALSRTPAIVTLVVLLVSIVVLVTLTLIQIHHPQVLSPGLKYGIV
LDAGSSRTTVYVYQWPAEKENNTGVVSQTFRCSVKGSGISSYENNPQDAPKAFEDCMLKV
KEQVPKHLHESTRVYLGATAGMRLLRLQNETAAHEVLESIQSYFKSQPFDFRGAQIISGQ
EEGVYGWITANYIMGNFLEKNLWHMWVHPHGVDTTGALDLGGASTQISFVSEEKMEPNAS
DTVQVSLYGYTYTLYTHSFQCYGRNEAEKKFLAMLLQSPSTDANISNPCYPHGYSTTFTM
GHVFGSLCTEKQRPKSYNPSDTITFTGTGDPQLCREKVASVFDFSACQEQDACSFDGIYQ
PKVQGPFVAFAGFYYTASALNLSGSFSLTSFNDSSWDFCRHTWSELPSLLPRFDETYARS
YCFSAHYIYHLLINGYKFTEATWPQIRFEKEVGNSSIAWSLGYMLSLTNQIPAGSPLIQL
PIQPPVFMGVLAFFTAIALLCLAFLFYLCSAFRTKERSENAFDQAVDSD
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BDBM50029031 |
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n/a |
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Name | BDBM50029031 |
Synonyms: | 1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,3,5]triazin-2-ylamino]-3-sulfo-phenylamino}-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid1-Amino-4-{4-[4-chloro-6-(4-sulfo-phenylamino)-[1,3,5]triazin-2-ylamino]-3-sulfo-phenylamino}-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid | CHEMBL223344 | CID44285648 | basilen blue | cibacron blue (mixer, meta and para isomers |
Type | Small organic molecule |
Emp. Form. | C29H17ClN7O11S3 |
Mol. Mass. | 771.135 |
SMILES | Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O |
Structure |
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