| Reaction Details |
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 | Report a problem with these data |
| Target | Epoxide hydrolase B |
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| Ligand | BDBM25735 |
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| Substrate/Competitor | BDBM25726 |
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| Meas. Tech. | Mtb EHB Inhibition Assay |
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| pH | 7±n/a |
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| Temperature | 303.15±n/a K |
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| IC50 | 16700±n/a nM |
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| Citation |  Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN The molecular structure of epoxide hydrolase B from Mycobacterium tuberculosis and its complex with a urea-based inhibitor. J Mol Biol381:897-912 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| Epoxide hydrolase B |
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| Name: | Epoxide hydrolase B |
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| Synonyms: | EPHB_MYCTO | Epoxide Hydrolase B (EHB) | Mtb EHB |
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| Type: | Enzyme |
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| Mol. Mass.: | 39285.78 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | The His6-tagged Mtb EHB was expressed in E. coli and purified. |
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| Residue: | 356 |
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| Sequence: | MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAI
DQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDR
CAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEE
DLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVY
PETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQ
YDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP
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| BDBM25735 |
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| BDBM25726 |
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| Name | BDBM25735 |
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| Synonyms: | 6-[(adamantan-1-ylcarbamoyl)amino]hexanoic acid | CHEMBL219094 | Urea-based compound, 16 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H28N2O3 |
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| Mol. Mass. | 308.4158 |
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| SMILES | OC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:14:21:18.17.20,19:18:14.15.13:21,THB:17:16:13:18.19.20,17:18:13:16.15.21| |
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| Structure | 
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