Reaction Details Report a problem with these data
Target
Phospho-N-acetylmuramoyl-pentapeptide-transferase
Ligand
BDBM50058291
Substrate
n/a
Meas. Tech.
ChEMBL_2292651
IC50
850000±n/a nM
Citation
 Bugg, TD; Rodolis, MT; Mihalyi, A; Jamshidi, S Inhibition of phospho-MurNAc-pentapeptide translocase (MraY) by nucleoside natural product antibiotics, bacteriophage ?X174 lysis protein E, and cationic antibacterial peptides. Bioorg Med Chem 24:6340-6347 (2016) [PubMed] 
Target
Name:
Phospho-N-acetylmuramoyl-pentapeptide-transferase
Synonyms:
MRAY_BACSU | mraY
Type:
PROTEIN
Mol. Mass.:
35531.14
Organism:
Bacillus subtilis
Description:
ChEMBL_796247
Residue:
324
Sequence:
MLEQVILFTILMGFLISVLLSPILIPFLRRLKFGQSIREEGPKSHQKKSGTPTMGGVMIILSIIVTTIVMTQKFSEISPEMVLLLFVTLGYGLLGFLDDYIKVVMKRNLGLTSKQKLIGQIIIAVVFYAVYHYYNFATDIRIPGTDLSFDLGWAYFILVLFMLVGGSNAVNLTDGLDGLLSGTAAIAFGAFAILAWNQSQYDVAIFSVAVVGAVLGFLVFNAHPAKVFMGDTGSLALGGAIVTIAILTKLEILLVIIGGVFVIETLSVILQVISFKTTGKRIFKMSPLHHHYELVGWSEWRVVVTFWAAGLLLAVLGIYIEVWL
  
Inhibitor
Name:
BDBM50058291
Synonyms:
CHEBI:87193 | CHEMBL1205178
Type:
Small organic molecule
Emp. Form.:
C20H4Br4Cl4O5
Mol. Mass.:
785.671
SMILES:
OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(17.43,-2.64,;16.66,-3.99,;17.43,-5.3,;15.12,-3.99,;15.12,-2.45,;16.43,-1.68,;13.77,-1.68,;13.77,-.14,;12.46,-2.45,;11.11,-1.68,;12.46,-3.99,;11.11,-4.76,;13.77,-4.76,;13.8,-6.3,;12.46,-7.07,;11.11,-6.3,;9.79,-7.1,;8.45,-6.33,;9.79,-8.64,;8,-9.7,;11.11,-9.41,;11.14,-10.95,;12.46,-8.64,;13.8,-9.41,;15.12,-8.61,;16.46,-9.38,;16.46,-10.92,;17.81,-8.61,;19.13,-9.38,;17.81,-7.07,;19.13,-6.3,;16.46,-6.3,;15.12,-7.07,)|
Structure:
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