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Target
1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplastic
Ligand
BDBM50488586
Substrate
n/a
Meas. Tech.
ChEMBL_925784 (CHEMBL3069077)
IC50
34000±n/a nM
Citation
 Witschel, M; Röhl, F; Niggeweg, R; Newton, T In search of new herbicidal inhibitors of the non-mevalonate pathway. Pest Manag Sci 69:559-63 (2013) [PubMed]  Article 
Target
Name:
1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplastic
Synonyms:
1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplastic | 1-deoxyxylulose-5-phosphate reductoisomerase | 1.1.1.267 | 2-C-methyl-D-erythritol 4-phosphate synthase | DXP reductoisomerase | DXR | DXR_ARATH | ISPC | PDE129 | PDE129 | Protein PIGMENT-DEFECTIVE EMBRYO 129
Type:
PROTEIN
Mol. Mass.:
51966.29
Organism:
Arabidopsis thaliana
Description:
ChEMBL_105556
Residue:
477
Sequence:
MMTLNSLSPAESKAISFLDTSRFNPIPKLSGGFSLRRRNQGRGFGKGVKCSVKVQQQQQPPPAWPGRAVPEAPRQSWDGPKPISIVGSTGSIGTQTLDIVAENPDKFRVVALAAGSNVTLLADQVRRFKPALVAVRNESLINELKEALADLDYKLEIIPGEQGVIEVARHPEAVTVVTGIVGCAGLKPTVAAIEAGKDIALANKETLIAGGPFVLPLANKHNVKILPADSEHSAIFQCIQGLPEGALRKIILTASGGAFRDWPVEKLKEVKVADALKHPNWNMGKKITVDSATLFNKGLEVIEAHYLFGAEYDDIEIVIHPQSIIHSMIETQDSSVLAQLGWPDMRLPILYTMSWPDRVPCSEVTWPRLDLCKLGSLTFKKPDNVKYPSMDLAYAAGRAGGTMTGVLSAANEKAVEMFIDEKISYLDIFKVVELTCDKHRNELVTSPSLEEIVHYDLWAREYAANVQLSSGARPVHA
  
Inhibitor
Name:
BDBM50488586
Synonyms:
CHEMBL2289494
Type:
Small organic molecule
Emp. Form.:
C19H17Cl2FN4
Mol. Mass.:
391.269
SMILES:
CC(C)Nc1nc(Nc2ccccc2)nc(Cl)c1-c1c(F)cccc1Cl |(7.17,-36.25,;7.17,-34.71,;5.84,-33.94,;8.51,-33.94,;8.51,-32.4,;7.17,-31.63,;7.18,-30.08,;5.84,-29.31,;5.84,-27.77,;7.18,-27.01,;7.18,-25.47,;5.85,-24.7,;4.51,-25.48,;4.51,-27.01,;8.5,-29.31,;9.84,-30.08,;11.17,-29.3,;9.85,-31.63,;11.17,-32.39,;11.17,-33.94,;9.84,-34.71,;12.51,-34.7,;13.84,-33.93,;13.83,-32.38,;12.5,-31.62,;12.49,-30.08,)|
Structure:
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