Reaction Details Report a problem with these data
Target
Tuberculosinyl adenosine transferase
Ligand
BDBM25288
Substrate
n/a
Meas. Tech.
Rv3378c Inhibition Assay
IC50
2.1e+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:
Tuberculosinyl adenosine transferase
Synonyms:
Diterpene synthase | TUBAT_MYCTO | Tuberculosinyl adenosine synthase (Rv3378c)
Type:
Protein
Mol. Mass.:
34026.59
Organism:
Mycobacterium tuberculosis H37Rv
Description:
n/a
Residue:
296
Sequence:
MNLVSEKEFLDLPLVSVAEIVRCRGPKVSVFPFDGTRRWFHLECNPQYDDYQQAALRQSIRILKMLFEHGIETVISPIFSDDLLDRGDRYIVQALEGMALLANDEEILSFYKEHEVHVLFYGDYKKRLPSTAQGAAVVKSFDDLTISTSSNTEHRLCFGVFGNDAAESVAQFSISWNETHGKPPTRREIIEGYYGEYVDKADMFIGFGRFSTFDFPLLSSGKTSLYFTVAPSYYMTETTLRRILYDHIYLRHFRPKPDYSAMSADQLNVLRNRYRAQPDRVFGVGCVHDGIWFAEG
  
Inhibitor
Name:
BDBM25288
Synonyms:
BPH-629 | [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-6-yl}phenyl)-1-phosphonoethyl]phosphonic acid | bisphosphonate, 8
Type:
Small organic molecule
Emp. Form.:
C20H18O8P2
Mol. Mass.:
448.2996
SMILES:
OC(Cc1cccc(c1)-c1cccc2c1oc1ccccc21)(P(O)(O)=O)P(O)(O)=O
Structure:
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