Reaction Details
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Methylated-DNA--protein-cysteine methyltransferase
Ligand
BDBM50106517
Substrate
n/a
Meas. Tech.
ChEMBL_103719 (CHEMBL712287)
IC50
9.0±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 More Info.:
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:
BDBM50106517
Synonyms:
6-(4-Bromo-thiophen-2-ylmethoxy)-9H-purin-2-ylamine | CHEMBL339133
Type:
Small organic molecule
Emp. Form.:
C10H8BrN5OS
Mol. Mass.:
326.172
SMILES:
Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1
Structure:
