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Target
Short-chain Z-isoprenyl diphosphate synthase
Ligand
BDBM153369
Substrate
n/a
Meas. Tech.
Radiometric Assay
IC50
4e+2±n/a nM
Citation
 Kim, MO; Feng, X; Feixas, F; Zhu, W; Lindert, S; Bogue, S; Sinko, W; de Oliveira, C; Rao, G; Oldfield, E; McCammon, JA A Molecular Dynamics Investigation of Mycobacterium tuberculosis Prenyl Synthases: Conformational Flexibility and Implications for Computer-aided Drug Discovery. Chem Biol Drug Des 85:756-69 (2015) [PubMed]  Article
Target
Name:
Short-chain Z-isoprenyl diphosphate synthase
Synonyms:
ZFPP_MYCBO | cis-Farnesyl diphosphate synthase (cis-FPPS)
Type:
Protein
Mol. Mass.:
29475.52
Organism:
Mycobacterium tuberculosis H37Rv
Description:
Q7U0P8
Residue:
262
Sequence:
MEIIPPRLKEPLYRLYELRLRQGLAASKSDLPRHIAVLCDGNRRWARSAGYDDVSYGYRMGAAKIAEMLRWCHEAGIELATVYLLSTENLQRDPDELAALIEIITDVVEEICAPANHWSVRTVGDLGLIGEEPARRLRGAVESTPEVASFHVNVAVGYGGRREIVDAVRALLSKELANGATAEELVDAVTVEGISENLYTSGQPDPDLVIRTSGEQRLSGFLLWQSAYSEMWFTEAHWPAFRHVDFLRALRDYSARHRRYGR
  
Inhibitor
Name:
BDBM153369
Synonyms:
BPH-1425
Type:
Small organic molecule
Emp. Form.:
C38H42N4O12
Mol. Mass.:
746.7597
SMILES:
N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1cccc(NC(=O)c2ccc(cc2)-c2ccc(cc2)C(=O)Nc2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)c2)c1 |r|
Structure:
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