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Target
Thiopurine S-methyltransferase
Ligand
BDBM50530712
Substrate
n/a
Meas. Tech.
ChEMBL_1913772 (CHEMBL4416355)
IC50
1000±n/a nM
Citation
 Policarpo, RL; Decultot, L; May, E; Kuzmi?, P; Carlson, S; Huang, D; Chu, V; Wright, BA; Dhakshinamoorthy, S; Kannt, A; Rani, S; Dittakavi, S; Panarese, JD; Gaudet, R; Shair, MD High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide  J Med Chem 62:9837-9873 (2019) [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:
BDBM50530712
Synonyms:
CHEMBL4591248
Type:
Small organic molecule
Emp. Form.:
C24H27N7O6
Mol. Mass.:
509.5145
SMILES:
N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O |r|
Structure:
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