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Target
Thiopurine S-methyltransferase
Ligand
BDBM50378739
Substrate
n/a
Meas. Tech.
ChEMBL_1458987 (CHEMBL3369580)
Kd
10000±n/a nM
Citation
 Gibbs, AC Elements and modulation of functional dynamics. J Med Chem 57:7819-37 (2014) [PubMed]  Article 
Target
Name:
Thiopurine S-methyltransferase
Synonyms:
TPMT | TPMT_HUMAN
Type:
PROTEIN
Mol. Mass.:
28178.47
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1458987
Residue:
245
Sequence:
MDGTRTSLDIEEYSDTEVQKNQVLTLEEWQDKWVNGKTAFHQEQGHQLLKKHLDTFLKGKSGLRVFFPLCGKAVEMKWFADRGHSVVGVEISELGIQEFFTEQNLSYSEEPITEIPGTKVFKSSSGNISLYCCSIFDLPRTNIGKFDMIWDRGALVAINPGDRKCYADTMFSLLGKKFQYLLCVLSYDPTKHPGPPFYVPHAEIERLFGKICNIRCLEKVDAFEERHKSWGIDCLFEKLYLLTEK
  
Inhibitor
Name:
BDBM50378739
Synonyms:
SINEFUNGIN | jm2c00120, Sinefungin
Type:
Small organic molecule
Emp. Form.:
C15H23N7O5
Mol. Mass.:
381.387
SMILES:
N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Structure:
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