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Target
Penicillin-binding protein 2X
Ligand
BDBM50300688
Substrate
n/a
Meas. Tech.
ChEMBL_589475 (CHEMBL1053623)
IC50
255000±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:
PBP-2X | PBP2X | PBPX_STRR6 | pbpX
Type:
PROTEIN
Mol. Mass.:
82337.09
Organism:
Streptococcus pneumoniae R6
Description:
ChEMBL_822530
Residue:
750
Sequence:
MKWTKRVIRYATKNRKSPAENRRRVGKSLSLLSVFVFAIFLVNFAVIIGTGTRFGTDLAKEAKKVHQTTRTVPAKRGTIYDRNGVPIAEDATSYNVYAVIDENYKSATGKILYVEKTQFNKVAEVFHKYLDMEESYVREQLSQPNLKQVSFGAKGNGITYANMMSIKKELEAAEVKGIDFTTSPNRSYPNGQFASSFIGLAQLHENEDGSKSLLGTSGMESSLNSILAGTDGIITYEKDRLGNIVPGTEQVSQRTMDGKDVYTTISSPLQSFMETQMDAFQEKVKGKYMTATLVSAKTGEILATTQRPTFDADTKEGITEDFVWRDILYQSNYEPGSTMKVMMLAAAIDNNTFPGGEVFNSSELKIADATIRDWDVNEGLTGGRMMTFSQGFAHSSNVGMTLLEQKMGDATWLDYLNRFKFGVPTRFGLTDEYAGQLPADNIVNIAQSSFGQGISVTQTQMIRAFTAIANDGVMLEPKFISAIYDPNDQTARKSQKEIVGNPVSKDAASLTRTNMVLVGTDPVYGTMYNHSTGKPTVTVPGQNVALKSGTAQIADEKNGGYLVGLTDYIFSAVSMSPAENPDFILYVTVQQPEHYSGIQLGEFANPILERASAMKDSLNLQTTAKALEQVSQQSPYPMPSVKDISPGDLAEELRRNLVQPIVVGTGTKIKNSSAEEGKNLAPNQQVLILSDKAEEVPDMYGWTKETAETLAKWLNIELEFQGSGSTVQKQDVRANTAIKDIKKITLTLGD
  
Inhibitor
Name:
BDBM50300688
Synonyms:
6-chloro-3-(3,4-dichlorophenoxy)-2-(3-(3-(trifluoromethyl)phenyl)ureido)benzenesulfonic acid | CHEMBL576555
Type:
Small organic molecule
Emp. Form.:
C20H12Cl3F3N2O5S
Mol. Mass.:
555.739
SMILES:
OS(=O)(=O)c1c(Cl)ccc(Oc2ccc(Cl)c(Cl)c2)c1NC(=O)Nc1cccc(c1)C(F)(F)F
Structure:
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