Target
Methylated-DNA--protein-cysteine methyltransferase
Ligand
BDBM50106511
Substrate
n/a
Meas. Tech.
ChEMBL_103719 (CHEMBL712287)
IC50
32±n/a nM
Citation
 Reinhard, JHull, WEvon der Lieth, CWEichhorn, UKliem, HCKaina, BWiessler, 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:
BDBM50106511
Synonyms:
2-{8-[2-Amino-6-(4-bromo-thiophen-2-ylmethoxy)-purin-9-yl]-octyloxy}-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol | CHEMBL336947
Type:
Small organic molecule
Emp. Form.:
C24H34BrN5O7S
Mol. Mass.:
616.525
SMILES:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1
Structure:
Search PDB for entries with ligand similarity: