Reaction Details |
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Target | Penicillin-binding protein 2X |
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Ligand | BDBM50300689 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_589475 (CHEMBL1053623) |
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IC50 | 336000±n/a nM |
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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 Chem52:5926-36 (2009) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Penicillin-binding protein 2X |
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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: | MKWTKRVIRYATKNRKSPAENRRRVGKSLSLLSVFVFAIFLVNFAVIIGTGTRFGTDLAK
EAKKVHQTTRTVPAKRGTIYDRNGVPIAEDATSYNVYAVIDENYKSATGKILYVEKTQFN
KVAEVFHKYLDMEESYVREQLSQPNLKQVSFGAKGNGITYANMMSIKKELEAAEVKGIDF
TTSPNRSYPNGQFASSFIGLAQLHENEDGSKSLLGTSGMESSLNSILAGTDGIITYEKDR
LGNIVPGTEQVSQRTMDGKDVYTTISSPLQSFMETQMDAFQEKVKGKYMTATLVSAKTGE
ILATTQRPTFDADTKEGITEDFVWRDILYQSNYEPGSTMKVMMLAAAIDNNTFPGGEVFN
SSELKIADATIRDWDVNEGLTGGRMMTFSQGFAHSSNVGMTLLEQKMGDATWLDYLNRFK
FGVPTRFGLTDEYAGQLPADNIVNIAQSSFGQGISVTQTQMIRAFTAIANDGVMLEPKFI
SAIYDPNDQTARKSQKEIVGNPVSKDAASLTRTNMVLVGTDPVYGTMYNHSTGKPTVTVP
GQNVALKSGTAQIADEKNGGYLVGLTDYIFSAVSMSPAENPDFILYVTVQQPEHYSGIQL
GEFANPILERASAMKDSLNLQTTAKALEQVSQQSPYPMPSVKDISPGDLAEELRRNLVQP
IVVGTGTKIKNSSAEEGKNLAPNQQVLILSDKAEEVPDMYGWTKETAETLAKWLNIELEF
QGSGSTVQKQDVRANTAIKDIKKITLTLGD
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BDBM50300689 |
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n/a |
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Name | BDBM50300689 |
Synonyms: | 6-chloro-2-(3-(4-chloro-2-methylphenyl)ureido)-3-(4-chlorophenoxy)benzenesulfonic acid | CHEMBL575313 |
Type | Small organic molecule |
Emp. Form. | C20H15Cl3N2O5S |
Mol. Mass. | 501.768 |
SMILES | Cc1cc(Cl)ccc1NC(=O)Nc1c(Oc2ccc(Cl)cc2)ccc(Cl)c1S(O)(=O)=O |
Structure |
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