Reaction Details Report a problem with these data
Target
Nucleoside triphosphate diphosphohydrolase 3
Ligand
BDBM50227032
Substrate
n/a
Meas. Tech.
ChEMBL_612641 (CHEMBL1065678)
Ki
14300±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 Chem 53:2076-86 (2010) [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:
BDBM50227032
Synonyms:
CHEMBL256057 | acid blue 25 | sodium 1-amino-9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonate
Type:
Small organic molecule
Emp. Form.:
C20H13N2O5S
Mol. Mass.:
393.393
SMILES:
Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccccc2)cc1S([O-])(=O)=O
Structure:
Search PDB for entries with ligand similarity: