Reaction Details Report a problem with these data
Target
Ectonucleoside triphosphate diphosphohydrolase 2
Ligand
BDBM50048062
Substrate
n/a
Meas. Tech.
ChEMBL_1453714 (CHEMBL3364116)
Ki
21000±n/a nM
Citation
 Gillerman, I; Lecka, J; Simhaev, L; Munkonda, MN; Fausther, M; Martín-Satué, M; Senderowitz, H; Sévigny, J; Fischer, B 2-Hexylthio-ß,¿-CH2-ATP is an effective and selective NTPDase2 inhibitor. J Med Chem 57:5919-34 (2014) [PubMed]  Article 
Target
Name:
Ectonucleoside triphosphate diphosphohydrolase 2
Synonyms:
CD39L1 | ENTP2_HUMAN | ENTPD2
Type:
PROTEIN
Mol. Mass.:
53675.44
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1453714
Residue:
495
Sequence:
MAGKVRSLLPPLLLAAAGLAGLLLLCVPTRDVREPPALKYGIVLDAGSSHTSMFIYKWPADKENDTGIVGQHSSCDVPGGGISSYADNPSGASQSLVGCLEQALQDVPKERHAGTPLYLGATAGMRLLNLTNPEASTSVLMAVTHTLTQYPFDFRGARILSGQEEGVFGWVTANYLLENFIKYGWVGRWFRPRKGTLGAMDLGGASTQITFETTSPAEDRASEVQLHLYGQHYRVYTHSFLCYGRDQVLQRLLASALQTHGFHPCWPRGFSTQVLLGDVYQSPCTMAQRPQNFNSSARVSLSGSSDPHLCRDLVSGLFSFSSCPFSRCSFNGVFQPPVAGNFVAFSAFFYTVDFLRTSMGLPVATLQQLEAAAVNVCNQTWAQLQARVPGQRARLADYCAGAMFVQQLLSRGYGFDERAFGGVIFQKKAADTAVGWALGYMLNLTNLIPADPPGLRKGTDFSSWVVLLLLFASALLAALVLLLRQVHSAKLPSTI
  
Inhibitor
Name:
BDBM50048062
Synonyms:
CHEMBL3314932
Type:
Small organic molecule
Emp. Form.:
C17H30N5O12P3S
Mol. Mass.:
621.433
SMILES:
CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
Structure:
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