Reaction Details |
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Target | 3-oxoacyl-[acyl-carrier-protein] reductase |
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Ligand | BDBM50070942 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_983602 (CHEMBL2427114) |
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IC50 | 320±n/a nM |
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Citation | Belluti, F; Perozzo, R; Lauciello, L; Colizzi, F; Kostrewa, D; Bisi, A; Gobbi, S; Rampa, A; Bolognesi, ML; Recanatini, M; Brun, R; Scapozza, L; Cavalli, A Design, synthesis, and biological and crystallographic evaluation of novel inhibitors of Plasmodium falciparum enoyl-ACP-reductase (PfFabI). J Med Chem56:7516-26 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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3-oxoacyl-[acyl-carrier-protein] reductase |
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Name: | 3-oxoacyl-[acyl-carrier-protein] reductase |
Synonyms: | 3-oxoacyl-(Acyl-carrier protein) reductase | FabG |
Type: | PROTEIN |
Mol. Mass.: | 33360.55 |
Organism: | Plasmodium falciparum (isolate 3D7) |
Description: | ChEMBL_107660 |
Residue: | 301 |
Sequence: | MSVLHRFYLFFLFTKFFHCYKISYVLKNAKLAPNHAIKNINSLNLLSENKKENYYYCGEN
KVALVTGAGRGIGREIAKMLAKSVSHVICISRTQKSCDSVVDEIKSFGYESSGYAGDVSK
KEEISEVINKILTEHKNVDILVNNAGITRDNLFLRMKNDEWEDVLRTNLNSLFYITQPIS
KRMINNRYGRIINISSIVGLTGNVGQANYSSSKAGVIGFTKSLAKELASRNITVNAIAPG
FISSDMTDKISEQIKKNIISNIPAGRMGTPEEVANLACFLSSDKSGYINGRVFVIDGGLS
P
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BDBM50070942 |
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n/a |
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Name | BDBM50070942 |
Synonyms: | (-)-Epigallocatechin gallate | (-)-Epigallocatechin-3-o-gallate | (-)-epigallocatechin 3-gallate | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | CHEMBL297453 | EGCG | Epigallocatechin 3-gallate | Epigallocatechin monogallate, B | cid_65064 |
Type | Small organic molecule |
Emp. Form. | C22H18O11 |
Mol. Mass. | 458.3717 |
SMILES | Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| |
Structure |
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