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Target
Nucleoside triphosphate diphosphohydrolase 3
Ligand
BDBM50029031
Substrate
n/a
Meas. Tech.
ChEMBL_424932 (CHEMBL911344)
Ki
1100±n/a nM
Citation
 Müller, CE; Iqbal, J; Baqi, Y; Zimmermann, H; Röllich, A; Stephan, H Polyoxometalates--a new class of potent ecto-nucleoside triphosphate diphosphohydrolase (NTPDase) inhibitors. Bioorg Med Chem Lett 16:5943-7 (2006) [PubMed]  Article 
Target
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:
MFTVMTRQPCEQAGFRALSRTPAIVTLVVLLVSIVVLVTLTLIQIHHPQVLSPGLKYGIVLDAGSSRTTVYVYQWPAEKENNTGVVSQTFRCSVKGSGISSYENNPQDAPKAFEDCMLKVKEQVPKHLHESTRVYLGATAGMRLLRLQNETAAHEVLESIQSYFKSQPFDFRGAQIISGQEEGVYGWITANYIMGNFLEKNLWHMWVHPHGVDTTGALDLGGASTQISFVSEEKMEPNASDTVQVSLYGYTYTLYTHSFQCYGRNEAEKKFLAMLLQSPSTDANISNPCYPHGYSTTFTMGHVFGSLCTEKQRPKSYNPSDTITFTGTGDPQLCREKVASVFDFSACQEQDACSFDGIYQPKVQGPFVAFAGFYYTASALNLSGSFSLTSFNDSSWDFCRHTWSELPSLLPRFDETYARSYCFSAHYIYHLLINGYKFTEATWPQIRFEKEVGNSSIAWSLGYMLSLTNQIPAGSPLIQLPIQPPVFMGVLAFFTAIALLCLAFLFYLCSAFRTKERSENAFDQAVDSD
  
Inhibitor
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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