Reaction Details Report a problem with these data
Target
RmtA
Ligand
BDBM50206438
Substrate
n/a
Meas. Tech.
ChEMBL_428528 (CHEMBL919885)
IC50
>164000±n/a nM
Citation
 Ragno, R; Simeoni, S; Castellano, S; Vicidomini, C; Mai, A; Caroli, A; Tramontano, A; Bonaccini, C; Trojer, P; Bauer, I; Brosch, G; Sbardella, G Small molecule inhibitors of histone arginine methyltransferases: homology modeling, molecular docking, binding mode analysis, and biological evaluations. J Med Chem 50:1241-53 (2007) [PubMed]  Article 
Target
Name:
RmtA
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
39351.26
Organism:
Emericella nidulans
Description:
ChEMBL_475539
Residue:
345
Sequence:
MSEIENSTITSSADRMVGMDHAEVRYFTSYDHHGIHEEMLKDDVRTRSYRDSIYQNRHIFKDKVVLDVGCGTGILSMFAAKAGAKHVIGVDMSSIIEKAREIVAVNGLADKITLLQGKMEEVQLPFPSVDIIISEWMGYFLLYESMLDTVLYAQDRYLVPGGKIFPDKATMYLAGIEDGEYKDDKIGFWDNVYGFDYSPMKEIALTEPLVDTVELKALVTDPCPIITFDLYTVTKEDLAFEVPYSLPVKRSDFVHAVIAWFDIEFGACHKPINFSTGPHAKYTHWKQTVFYLRDVLTVEEEESISGVLSNRPNDKNKRDLDINLTYKLETQDQTRFAEGGCFYRM
  
Inhibitor
Name:
BDBM50206438
Synonyms:
1-(2,4,6-trioxo-tetrahydropyrimidin-5(6H)-ylideneamino)-1,3,5-triazinane-2,4,6-trione | CHEMBL220162
Type:
Small organic molecule
Emp. Form.:
C7H4N6O6
Mol. Mass.:
268.1433
SMILES:
O=C1NC(=O)C(=Nn2c(=O)[nH]c(=O)[nH]c2=O)C(=O)N1 |(31.55,3.31,;30.04,2.99,;29.01,4.13,;27.49,3.81,;26.46,4.96,;27.03,2.36,;25.52,2.03,;24.49,3.17,;23.16,2.41,;23.16,.87,;21.83,3.17,;21.83,4.71,;20.5,5.48,;23.16,5.49,;24.49,4.71,;25.83,5.48,;28.06,1.2,;27.58,-.26,;29.56,1.53,)|
Structure:
Search PDB for entries with ligand similarity: