Reaction Details Report a problem with these data
Target
Diphosphomevalonate decarboxylase
Ligand
BDBM45755
Substrate
n/a
Meas. Tech.
Screening for Inhibitors of the Mevalonate Pathway in Streptococcus Pneumoniae - DPM-DC - Secondary Assay
IC50
341±4680 nM
Citation
 PubChem, PC Screening for Inhibitors of the Mevalonate Pathway in Streptococcus Pneumoniae - DPM-DC - Secondary Assay PubChem Bioassay (2008)[AID] 
Target
Name:
Diphosphomevalonate decarboxylase
Synonyms:
n/a
Type:
Enzyme Catalytic Domain
Mol. Mass.:
35571.44
Organism:
Streptococcus pneumoniae D39
Description:
A0A0H2ZN59
Residue:
317
Sequence:
MDREPVTVRSYANIAIIKYWGKKKEKEMVPATSSISLTLENMYTETTLSPLPANVTADEFYINGQLQNEVEHAKMSKIIDRYRPAGEGFVRIDTQNNMPTAAGLSSSSSGLSALVKACNAYFKLGLDRSQLAQEAKFASGSSSRSFYGPLGAWDKDSGEIYPVETDLKLAMIMLVLEDKKKPISSRDGMKLCVETSTTFDDWVRQSEKDYQDMLIYLKENDFAKIGELTEKNALAMHATTKTASPAFSYLTDASYEAMDFVRQLREKGEACYFTMDAGPNVKVFCQEKDLEHLSEIFGQRYRLIVSKTKDLSQDDCC
  
Inhibitor
Name:
BDBM45755
Synonyms:
AB00540084 | N-(2-furanylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide | N-(2-furfuryl)-4-(3-keto-1,2-benzothiazol-2-yl)benzamide | N-(furan-2-ylmethyl)-4-(3-oxidanylidene-1,2-benzothiazol-2-yl)benzamide | N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide | acs.jmedchem.1c00409_ST.182 | cid_16749979
Type:
Small organic molecule
Emp. Form.:
C19H14N2O3S
Mol. Mass.:
350.391
SMILES:
O=C(NCc1ccco1)c1ccc(cc1)-n1sc2ccccc2c1=O
Structure:
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