| Reaction Details |
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 | Report a problem with these data |
| Target | Peptidase |
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| Ligand | BDBM50569545 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2109572 (CHEMBL4818247) |
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| Kd | 86600±n/a nM |
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| Citation |  Lv, N; Kong, Q; Zhang, H; Li, J Discovery of novel Staphylococcus aureus penicillin binding protein 2a inhibitors by multistep virtual screening and biological evaluation. Bioorg Med Chem Lett41:0 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Peptidase |
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| Name: | Peptidase |
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| Synonyms: | MecA | Pbp2a | Penicillin binding protein 2 prime | Penicillin binding protein 2' | Penicillin binding protein 2a (PBP2a) | Penicillin-binding protein 2 prime | Penicillin-binding protein 2' |
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| Type: | PROTEIN |
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| Mol. Mass.: | 76113.18 |
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| Organism: | Staphylococcus aureus |
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| Description: | ChEMBL_677175 |
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| Residue: | 668 |
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| Sequence: | MKKIKIVPLILIVVVVGFGIYFYASKDKEINNTIDAIEDKNFKQVYKDSSYISKSDNGEV
EMTERPIKIYNSLGVKDINIQDRKIKKVSKNKKRVDAQYKIKTNYGNIDRNVQFNFVKED
GMWKLDWDHSVIIPGMQKDQSIHIENLKSERGKILDRNNVELANTGTAYEIGIVPKNVSK
KDYKAIAKELSISEDYIKQQMDQNWVQDDTFVPLKTVKKMDEYLSDFAKKFHLTTNETES
RNYPLGKATSHLLGYVGPINSEELKQKEYKGYKDDAVIGKKGLEKLYDKKLQHEDGYRVT
IVDDNSNTIAHTLIEKKKKDGKDIQLTIDAKVQKSIYNNMKNDYGSGTAIHPQTGELLAL
VSTPSYDVYPFMYGMSNEEYNKLTEDKKEPLLNKFQITTSPGSTQKILTAMIGLNNKTLD
DKTSYKIDGKGWQKDKSWGGYNVTRYEVVNGNIDLKQAIESSDNIFFARVALELGSKKFE
KGMKKLGVGEDIPSDYPFYNAQISNKNLDNEILLADSGYGQGEILINPVQILSIYSALEN
NGNINAPHLLKDTKNKVWKKNIISKENINLLTDGMQQVVNKTHKEDIYRSYANLIGKSGT
AELKMKQGETGRQIGWFISYDKDNPNMMMAINVKDVQDKGMASYNAKISGKVYDELYENG
NKKYDIDE
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| BDBM50569545 |
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| n/a |
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| Name | BDBM50569545 |
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| Synonyms: | CHEMBL4871381 |
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| Type | Small organic molecule |
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| Emp. Form. | C32H30N2O6 |
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| Mol. Mass. | 538.5904 |
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| SMILES | COc1ccc(NC(=O)[C@H]2Oc3c([C@@H]2c2ccc(CCCN4CCCC4=O)cc2)c(=O)oc2ccccc32)cc1 |r| |
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| Structure | 
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