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Target
Methylated-DNA--protein-cysteine methyltransferase
Ligand
BDBM50106514
Substrate
n/a
Meas. Tech.
ChEMBL_103719 (CHEMBL712287)
IC50
250±n/a nM
Citation
 Reinhard, J; Hull, WE; von der Lieth, CW; Eichhorn, U; Kliem, HC; Kaina, B; Wiessler, M Monosaccharide-linked inhibitors of O(6)-methylguanine-DNA methyltransferase (MGMT): synthesis, molecular modeling, and structure-activity relationships. J Med Chem 44:4050-61 (2001) [PubMed]  Article 
Target
Name:
Methylated-DNA--protein-cysteine methyltransferase
Synonyms:
6-O-methylguanine-DNA methyltransferase | MGMT | MGMT_HUMAN
Type:
PROTEIN
Mol. Mass.:
21651.27
Organism:
Homo sapiens (Human)
Description:
ChEMBL_144711
Residue:
207
Sequence:
MDKDCEMKRTTLDSPLGKLELSGCEQGLHEIKLLGKGTSAADAVEVPAPAAVLGGPEPLMQCTAWLNAYFHQPEAIEEFPVPALHHPVFQQESFTRQVLWKLLKVVKFGEVISYQQLAALAGNPKAARAVGGAMRGNPVPILIPCHRVVCSSGAVGNYSGGLAVKEWLLAHEGHRLGKPGLGGSSGLAGAWLKGAGATSGSPPAGRN
  
Inhibitor
Name:
BDBM50106514
Synonyms:
2-{4-[2-Amino-6-(4-bromo-thiophen-2-ylmethoxy)-purin-9-yl]-but-2-ynyloxy}-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol | CHEMBL336215
Type:
Small organic molecule
Emp. Form.:
C20H22BrN5O7S
Mol. Mass.:
556.387
SMILES:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CC#CCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1
Structure:
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