Reaction Details |
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Target | 1,3-beta-D-glucan synthase catalytic subunit |
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Ligand | BDBM50327036 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_663643 (CHEMBL1251396) |
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IC50 | >90000±n/a nM |
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Citation | Ma, CM; Abe, T; Komiyama, T; Wang, W; Hattori, M; Daneshtalab, M Synthesis, anti-fungal and 1,3-ß-D-glucan synthase inhibitory activities of caffeic and quinic acid derivatives. Bioorg Med Chem18:7009-14 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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1,3-beta-D-glucan synthase catalytic subunit |
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Name: | 1,3-beta-D-glucan synthase catalytic subunit |
Synonyms: | 1,3-beta-D-glucan synthase catalytic subunit | Beta-1,3-glucan synthase |
Type: | PROTEIN |
Mol. Mass.: | 80469.77 |
Organism: | Candida albicans |
Description: | ChEMBL_663643 |
Residue: | 690 |
Sequence: | GTIYWMYTAYNSPTLYTKHYVQTINQQPLASSRWAACAIGGVLASFIQILATLFEWIFVP
REWAGAQHLSRRMLFLVLIFLLNLVPPVYTFQITKLVIYSKSAYAVSIVGFFIAVATLVF
FAVMPLGGLFTSYMNKRSRRYIASQTFTANYIKLKGLDMWMSYLLWFLVFLAKLVESYFF
LTLSLRDPIRNLSTMTMRCVGEVWYKDIVCRNQAKIVLGLMYLVDLLLFFLDTYMWYIIC
NCIFSIGRSFYLGISILTPWRNIFTRLPKRIYSKILATTEMEIKYKPKVLISQIWNAIVI
SMYREHLLAIDHVQKLLYHQVPSEIEGKRTLRAPTFFVSQDDNNFETEFFPRNSEAERRI
SFFAQSLATPMPEPLPVDNMPTFTVFTPHYSEKILLSLREIIREDDQFSRVTLLEYLKQL
HPVEWDCFVKDTKILAEETAAYENGDDSEKLSEDGLKSKIDDLPFYCIGFKSAAPEYTLR
TRIWASLRSQTLYRTVSGFMNYARAIKLLYRVENPELVQYFGGDPEGLELALERMARRKF
RFLVSMQRLSKFKDDEMENAEFLLRAYPDLQIAYLDEEPALNEDEEPRVYSALIDGHCEM
LENGRRRPKFRVQLSGNPILGDGKSDNQNHAVIFHRGEYIQLIDANQDNYLEECLKIRSV
LAEFEEMNVEHVNPYAPNLKSEDNNTKKDP
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BDBM50327036 |
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n/a |
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Name | BDBM50327036 |
Synonyms: | (1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid | (1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid | (1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid | 3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid | 3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid | 5-O-caffeoylquinic acid | 5-caffeoyl quinic acid | CHEMBL284616 | Caffeoylquinic acid | Chlorogenic acid (CGA) | Chlorogenicacid | NSC-407296 | US11866416, Example 10 | chlorogenic acid |
Type | Small organic molecule |
Emp. Form. | C16H18O9 |
Mol. Mass. | 354.3087 |
SMILES | O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O |r| |
Structure |
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