Reaction Details |
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Target | Carbonic anhydrase |
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Ligand | BDBM50339591 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_736725 (CHEMBL1695106) |
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Ki | 1110±n/a nM |
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Citation | Davis, RA; Hofmann, A; Osman, A; Hall, RA; Mühlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Natural product-based phenols as novel probes for mycobacterial and fungal carbonic anhydrases. J Med Chem54:1682-92 (2011) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Carbonic anhydrase |
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Name: | Carbonic anhydrase |
Synonyms: | Carbonic Anhydrase 2 (Can2) |
Type: | Enzyme |
Mol. Mass.: | 26594.37 |
Organism: | Cryptococcus neoformans var. grubii (Filobasidiella neoformans var. grubii) |
Description: | n/a |
Residue: | 239 |
Sequence: | MPFHAEPLKPSDEIDMDLGHSVAAQKFKEIREVLEGNRYWARKVTSEEPEFMAEQVKGQA
PNFLWIGCADSRVPEVTIMARKPGDVFVQRNVANQFKPEDDSSQALLNYAIMNVGVTHVM
VVGHTGCGGCIAAFDQPLPTEENPGGTPLVRYLEPIIRLKHSLPEGSDVNDLIKENVKMA
VKNVVNSPTIQGAWEQARKGEFREVFVHGWLYDLSTGNIVDLNVTQGPHPFVDDRVPRA
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BDBM50339591 |
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n/a |
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Name | BDBM50339591 |
Synonyms: | (+)-xylariamide A | (S)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-4-oxobut-2-enamido)propanoic acid | 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine | CHEMBL463134 |
Type | Small organic molecule |
Emp. Form. | C14H14ClNO6 |
Mol. Mass. | 327.717 |
SMILES | COC(=O)\C=C\C(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O |r| |
Structure |
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