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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-lactamase | ||
| Ligand | BDBM23223 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_434808 (CHEMBL917036) | ||
| IC50 | 82000±n/a nM | ||
| Citation |  Feng, BY; Simeonov, A; Jadhav, A; Babaoglu, K; Inglese, J; Shoichet, BK; Austin, CP A high-throughput screen for aggregation-based inhibition in a large compound library. J Med Chem50:2385-90 (2007) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Beta-lactamase | |||
| Name: | Beta-lactamase | ||
| Synonyms: | AMPC_ECOLI | Beta-lactamase | Beta-lactamase (AmpC) | Beta-lactamase AmpC | Cephalosporinase | Escherichia coli K-12 | ampA | ampC | ||
| Type: | Protien | ||
| Mol. Mass.: | 41561.62 | ||
| Organism: | Escherichia coli | ||
| Description: | P00811 | ||
| Residue: | 377 | ||
| Sequence: |
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| BDBM23223 | |||
| n/a | |||
| Name | BDBM23223 | ||
| Synonyms: | 7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde | CHEMBL51483 | Gossypol | Gossypol (C9) | Gossypol, 4 | Pogosin | Tash 1 | US9115061, Gossypol | cid_3503 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C30H30O8 | ||
| Mol. Mass. | 518.5544 | ||
| SMILES | CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| | ||
| Structure | 
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