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Target
RmtA
Ligand
BDBM50206426
Substrate
n/a
Meas. Tech.
ChEMBL_428528 (CHEMBL919885)
IC50
22300±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:
BDBM50206426
Synonyms:
4-amino-3,5-dibromo-2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid | CHEMBL220275
Type:
Small organic molecule
Emp. Form.:
C20H7Br6NO5
Mol. Mass.:
820.697
SMILES:
Nc1c(Br)cc(C(O)=O)c(c1Br)-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(13.55,-25.84,;12.22,-26.62,;10.88,-25.85,;10.87,-24.31,;9.55,-26.64,;9.56,-28.18,;8.02,-28.16,;7.23,-29.48,;7.26,-26.82,;10.89,-28.92,;12.23,-28.16,;13.56,-28.92,;10.9,-30.46,;12.24,-31.22,;13.57,-30.44,;14.91,-31.2,;16.24,-30.42,;14.92,-32.76,;16.26,-33.52,;13.59,-33.54,;13.6,-35.08,;12.25,-32.77,;10.91,-33.55,;9.58,-32.78,;8.24,-33.56,;8.25,-35.1,;6.91,-32.79,;5.58,-33.56,;6.91,-31.24,;5.58,-30.47,;8.24,-30.47,;9.58,-31.24,)|
Structure:
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