| Reaction Details |
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 | Report a problem with these data |
| 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_589476 (CHEMBL1053624) |
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| IC50 | 71000±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 |
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| Synonyms: | PBPX_STRPN | pbpX |
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| Type: | PROTEIN |
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| Mol. Mass.: | 82307.00 |
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| Organism: | Streptococcus pneumoniae |
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| Description: | ChEMBL_653273 |
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| Residue: | 750 |
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| Sequence: | MKWTKRVIRYATKNRKSPAENRRRVGKSLSLLSVFVFAIFLVNFAVIIGTGTRFGTDLAK
EAKKVHQTTRTVPAKRGTIYDRNGVPIAEDATSYNVYAVIDENYKSATGKILYVEKTQFN
KVAEVFHKYLDMEESYVREQLSQPNLKQVSFGAKGNGITYANMMSIKKELEAAEVKGIDF
TTSPNRSYPNGQFASSFIGLAQLHENEDGSKSLLGTSGMESSLNSILAGTDGIITYEKDR
LGNIVPGTEQVSQRTMDGKDVYTTISSPLQSFMETQMDAFQEKVKGKYMTATLVSAKTGE
ILATTQRPTFDADTKEGITEDFVWRDILYQSNYEPGSTMKVMMLAAAIDNNTFPGGEVFN
SSELKIADATIRDWDVNEGLTGGRTMTFSQGFAHSSNVGMTLLEQKMGDATWLDYLNRFK
FGVPTRFGLTDEYAGQLPADNIVNIAQSSFGQGISVTQTQMIRAFTAIANDGVMLEPKFI
SAIYDPNDQTARKSQKEIVGNPVSKDAASLTRTNMVLVGTDPVYGTMYNHSTGKPTVTVP
GQNVALKSGTAQIADEKNGGYLVGLTDYIFSAVSMSPAENPDFILYVTVQQPEHYSGIQL
GEFANPILERASAMKDSLNLQTTAKALEQVSQQSPYPMPSVKDISPGDLAEELRRNLVQP
IVVGTGTKIKNSSAEEGKNLAPNQQVLILSDKAEEVPDMYGWTKETAETLAKWLNIELEF
QGSGSTVQKQDVRANTAIKDIKKITLTLGD
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| BDBM50300689 |
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| n/a |
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| Name | BDBM50300689 |
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| Synonyms: | 6-chloro-2-(3-(4-chloro-2-methylphenyl)ureido)-3-(4-chlorophenoxy)benzenesulfonic acid | CHEMBL575313 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H15Cl3N2O5S |
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| Mol. Mass. | 501.768 |
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| SMILES | Cc1cc(Cl)ccc1NC(=O)Nc1c(Oc2ccc(Cl)cc2)ccc(Cl)c1S(O)(=O)=O |
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| Structure | 
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