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Target
Penicillin-binding protein 2x
Ligand
BDBM50300687
Substrate
n/a
Meas. Tech.
ChEMBL_589476 (CHEMBL1053624)
IC50
219000±n/a nM
Citation
 Miguet, L; Zervosen, A; Gerards, T; Pasha, FA; Luxen, A; Distèche-Nguyen, M; Thomas, A Discovery of new inhibitors of resistant Streptococcus pneumoniae penicillin binding protein (PBP) 2x by structure-based virtual screening. J Med Chem 52:5926-36 (2009) [PubMed]  Article 
Target
Name:
Penicillin-binding protein 2x
Synonyms:
PBPX_STRPN | pbpX
Type:
PROTEIN
Mol. Mass.:
82307.00
Organism:
Streptococcus pneumoniae
Description:
ChEMBL_653273
Residue:
750
Sequence:
MKWTKRVIRYATKNRKSPAENRRRVGKSLSLLSVFVFAIFLVNFAVIIGTGTRFGTDLAKEAKKVHQTTRTVPAKRGTIYDRNGVPIAEDATSYNVYAVIDENYKSATGKILYVEKTQFNKVAEVFHKYLDMEESYVREQLSQPNLKQVSFGAKGNGITYANMMSIKKELEAAEVKGIDFTTSPNRSYPNGQFASSFIGLAQLHENEDGSKSLLGTSGMESSLNSILAGTDGIITYEKDRLGNIVPGTEQVSQRTMDGKDVYTTISSPLQSFMETQMDAFQEKVKGKYMTATLVSAKTGEILATTQRPTFDADTKEGITEDFVWRDILYQSNYEPGSTMKVMMLAAAIDNNTFPGGEVFNSSELKIADATIRDWDVNEGLTGGRTMTFSQGFAHSSNVGMTLLEQKMGDATWLDYLNRFKFGVPTRFGLTDEYAGQLPADNIVNIAQSSFGQGISVTQTQMIRAFTAIANDGVMLEPKFISAIYDPNDQTARKSQKEIVGNPVSKDAASLTRTNMVLVGTDPVYGTMYNHSTGKPTVTVPGQNVALKSGTAQIADEKNGGYLVGLTDYIFSAVSMSPAENPDFILYVTVQQPEHYSGIQLGEFANPILERASAMKDSLNLQTTAKALEQVSQQSPYPMPSVKDISPGDLAEELRRNLVQPIVVGTGTKIKNSSAEEGKNLAPNQQVLILSDKAEEVPDMYGWTKETAETLAKWLNIELEFQGSGSTVQKQDVRANTAIKDIKKITLTLGD
  
Inhibitor
Name:
BDBM50300687
Synonyms:
2-(5-((4-chlorophenylthio)methyl)-1,3,4-thiadiazol-2-ylamino)-5-methylbenzenesulfonic acid | CHEMBL573503
Type:
Small organic molecule
Emp. Form.:
C16H14ClN3O3S3
Mol. Mass.:
427.949
SMILES:
Cc1ccc(Nc2nnc(CSc3ccc(Cl)cc3)s2)c(c1)S(O)(=O)=O
Structure:
Search PDB for entries with ligand similarity: