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TargetFructose-1,6-bisphosphate aldolase (FBA)
LigandBDBM96235
Substrate/Competitorn/a
IC50 842.66±n/a nM
Citation PubChem, PC Fluorescence-based biochemical high throughput dose response assay for inhibitors of the fructose-bisphosphate aldolase (FBA) of M. tuberculosis PubChem Bioassay(2013)[AID]
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Fructose-1,6-bisphosphate aldolase (FBA)
Name:Fructose-1,6-bisphosphate aldolase (FBA)
Synonyms:FBP aldolase | FBPA | Fructose-1,6-bisphosphate aldolase | Fructose-bisphosphate aldolase | Probable fructose-bisphosphate aldolase Fba
Type:Protein
Mol. Mass.:36539.01
Organism:Mycobacterium tuberculosis (strain H37Rv)
Description:P9WQA3
Residue:344
Sequence:
MPIATPEVYAEMLGQAKQNSYAFPAINCTSSETVNAAIKGFADAGSDGIIQFSTGGAEFG
SGLGVKDMVTGAVALAEFTHVIAAKYPVNVALHTDHCPKDKLDSYVRPLLAISAQRVSKG
GNPLFQSHMWDGSAVPIDENLAIAQELLKAAAAAKIILEIEIGVVGGEEDGVANEINEKL
YTSPEDFEKTIEALGAGEHGKYLLAATFGNVHGVYKPGNVKLRPDILAQGQQVAAAKLGL
PADAKPFDFVFHGGSGSLKSEIEEALRYGVVKMNVDTDTQYAFTRPIAGHMFTNYDGVLK
VDGEVGVKKVYDPRSYLKKAEASMSQRVVQACNDLHCAGKSLTH
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  Blast E-value cutoff:
BDBM96235
NameBDBM96235
Synonyms:4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-coumarilic acid ethyl ester;hydrochloride | 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-2-benzofurancarboxylic acid ethyl ester;hydrochloride | CHEMBL53849 | MLS000039218 | Non peptidic, 1 | SMR000036354 | cid_6602742 | ethyl 3-methyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-carboxylate;hydrochloride | ethyl 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1-benzofuran-2-carboxylate;hydrochloride
TypeSmall organic molecule
Emp. Form.C18H25NO5
Mol. Mass.335.3948
SMILESCCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C
Structure
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n/a