Ki Summary

Reaction Details

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Target

Ectonucleoside triphosphate diphosphohydrolase 1

Ligand

BDBM50029031

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_612637 (CHEMBL1065674)

20000±n/a nM

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

More Info.:

Get all data from this article, Assay Method

Ectonucleoside triphosphate diphosphohydrolase 1

Name:

Ectonucleoside triphosphate diphosphohydrolase 1

Synonyms:

Type:

PROTEIN

Mol. Mass.:

57412.31

Organism:

Rattus norvegicus

Description:

ChEMBL_463990

Residue:

511

Sequence:

MEDIKDSKVKRFCSKNILIILGFSSVLAVIALIAVGLTHNKPLPENVKYGIVLDAGSSHT
NLYIYKWPAEKENDTGVVQLLEECQVKGPGISKYAQKTDEIAAYLAECMKMSTERIPASK
QHQTPVYLGATAGMRLLRMESKQSADEVLAAVSRSLKSYPFDFQGAKIITGQEEGAYGWI
TINYLLGRFTQEQSWLNFISDSQKQATFGALDLGGSSTQVTFVPLNQTLEAPETSLQFRL
YGTDYTVYTHSFLCYGKDQALWQKLAQDIQVSSGGILKDPCFYPGYKKVVNVSELYGTPC
TKRFEKKLPFNQFQVQGTGDYEQCHQSILKFFNNSHCPYSQCAFNGVFLPPLQGSFGAFS
AFYFVMDFFKKMANDSVSSQEKMTEITKNFCSKPWEEVKASYPTVKEKYLSEYCFSGTYI
LSLLLQGYNFTGTSWDQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIS
LMVLFSLVLVAMVITGLFIFSKPSYFWKEAV

BDBM50029031

n/a

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