Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEctonucleoside triphosphate diphosphohydrolase 2
LigandBDBM50048062
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1453714 (CHEMBL3364116)
IC50 40000±n/a nM
Citation Gillerman, ILecka, JSimhaev, LMunkonda, MNFausther, MMartín-Satué, MSenderowitz, HSévigny, JFischer, B 2-Hexylthio-ß,¿-CH2-ATP is an effective and selective NTPDase2 inhibitor. J Med Chem57:5919-34 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Ectonucleoside triphosphate diphosphohydrolase 2
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:
MAGKVRSLLPPLLLAAAGLAGLLLLCVPTRDVREPPALKYGIVLDAGSSHTSMFIYKWPA
DKENDTGIVGQHSSCDVPGGGISSYADNPSGASQSLVGCLEQALQDVPKERHAGTPLYLG
ATAGMRLLNLTNPEASTSVLMAVTHTLTQYPFDFRGARILSGQEEGVFGWVTANYLLENF
IKYGWVGRWFRPRKGTLGAMDLGGASTQITFETTSPAEDRASEVQLHLYGQHYRVYTHSF
LCYGRDQVLQRLLASALQTHGFHPCWPRGFSTQVLLGDVYQSPCTMAQRPQNFNSSARVS
LSGSSDPHLCRDLVSGLFSFSSCPFSRCSFNGVFQPPVAGNFVAFSAFFYTVDFLRTSMG
LPVATLQQLEAAAVNVCNQTWAQLQARVPGQRARLADYCAGAMFVQQLLSRGYGFDERAF
GGVIFQKKAADTAVGWALGYMLNLTNLIPADPPGLRKGTDFSSWVVLLLLFASALLAALV
LLLRQVHSAKLPSTI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50048062
n/a
NameBDBM50048062
Synonyms:CHEMBL3314932
TypeSmall organic molecule
Emp. Form.C17H30N5O12P3S
Mol. Mass.621.433
SMILESCCCCCCSc1nc(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
Search PDB for entries with ligand similarity:Similarity to this molecule at least: