Reaction Details |
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Target | Chaperone SurA |
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Ligand | BDBM50467858 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1797153 (CHEMBL4269270) |
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IC50 | 2660±n/a nM |
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Citation | Bell, EW; Zheng, EJ; Ryno, LM Identification of inhibitors of the E. coli chaperone SurA using in silico and in vitro techniques. Bioorg Med Chem Lett28:3540-3548 (2018) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Chaperone SurA |
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Name: | Chaperone SurA |
Synonyms: | 5.2.1.8 | Chaperone SurA | PPIase SurA | Peptidyl-prolyl cis-trans isomerase SurA | Rotamase SurA | SURA_ECOLI | Survival protein A | surA |
Type: | PROTEIN |
Mol. Mass.: | 47285.20 |
Organism: | Escherichia coli (strain K12) |
Description: | ChEMBL_117815 |
Residue: | 428 |
Sequence: | MKNWKTLLLGIAMIANTSFAAPQVVDKVAAVVNNGVVLESDVDGLMQSVKLNAAQARQQL
PDDATLRHQIMERLIMDQIILQMGQKMGVKISDEQLDQAIANIAKQNNMTLDQMRSRLAY
DGLNYNTYRNQIRKEMIISEVRNNEVRRRITILPQEVESLAQQVGNQNDASTELNLSHIL
IPLPENPTSDQVNEAESQARAIVDQARNGADFGKLAIAHSADQQALNGGQMGWGRIQELP
GIFAQALSTAKKGDIVGPIRSGVGFHILKVNDLRGESKNISVTEVHARHILLKPSPIMTD
EQARVKLEQIAADIKSGKTTFAAAAKEFSQDPGSANQGGDLGWATPDIFDPAFRDALTRL
NKGQMSAPVHSSFGWHLIELLDTRNVDKTDAAQKDRAYRMLMNRKFSEEAASWMQEQRAS
AYVKILSN
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BDBM50467858 |
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n/a |
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Name | BDBM50467858 |
Synonyms: | CHEMBL4282968 |
Type | Small organic molecule |
Emp. Form. | C45H61N9O12 |
Mol. Mass. | 920.0189 |
SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O |r| |
Structure |
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