Reaction Details
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Target
3-hydroxyacyl-[acyl-carrier-protein] dehydratase
Ligand
BDBM50153015
Substrate
n/a
Meas. Tech.
ChEMBL_361103 (CHEMBL859169)
IC50
400±n/a nM
Citation
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More Info.:
Target
Name:
3-hydroxyacyl-[acyl-carrier-protein] dehydratase
Synonyms:
Fatty acid synthase
Type:
PROTEIN
Mol. Mass.:
26222.50
Organism:
Plasmodium falciparum
Description:
ChEMBL_983601
Residue:
230
Sequence:
MRFLIIHIAVIVLPFVLMIDVKRENSFFLRHSPKRLYKKADYNNMYDKIIKKQQNRIYDVSSQINQDNINGQNISFNLTFPNYDTSIDIEDIKKILPHRYPFLLVDKVIYMQPNKTIIGLKQVSTNEPFFNGHFPQKQIMPGVLQIEALAQLAGILCLKSDDSQKNNLFLFAGVDGVRWKKPVLPGDTLTMQANLISFKSSLGIAKLSGVGYVNGKVVINISEMTFALSK
Inhibitor
Name:
BDBM50153015
Synonyms:
(-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-gallate | (-)-epicatechin gallate | (-)-epicatechingallate | (-)epicatechingallate | (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate | 3,4,5-Trihydroxy-benzoic acid (2R,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester | 3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester | CHEMBL36327 | Epicatechin gallate | Epicatechin-3-O-gallate
Type:
Small organic molecule
Emp. Form.:
C22H18O10
Mol. Mass.:
442.3723
SMILES:
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|