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Target
1,3-beta-D-glucan synthase catalytic subunit
Ligand
BDBM50327036
Substrate
n/a
Meas. Tech.
ChEMBL_663643 (CHEMBL1251396)
IC50
>90000±n/a nM
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 Chem 18:7009-14 (2010) [PubMed]  Article 
Target
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:
GTIYWMYTAYNSPTLYTKHYVQTINQQPLASSRWAACAIGGVLASFIQILATLFEWIFVPREWAGAQHLSRRMLFLVLIFLLNLVPPVYTFQITKLVIYSKSAYAVSIVGFFIAVATLVFFAVMPLGGLFTSYMNKRSRRYIASQTFTANYIKLKGLDMWMSYLLWFLVFLAKLVESYFFLTLSLRDPIRNLSTMTMRCVGEVWYKDIVCRNQAKIVLGLMYLVDLLLFFLDTYMWYIICNCIFSIGRSFYLGISILTPWRNIFTRLPKRIYSKILATTEMEIKYKPKVLISQIWNAIVISMYREHLLAIDHVQKLLYHQVPSEIEGKRTLRAPTFFVSQDDNNFETEFFPRNSEAERRISFFAQSLATPMPEPLPVDNMPTFTVFTPHYSEKILLSLREIIREDDQFSRVTLLEYLKQLHPVEWDCFVKDTKILAEETAAYENGDDSEKLSEDGLKSKIDDLPFYCIGFKSAAPEYTLRTRIWASLRSQTLYRTVSGFMNYARAIKLLYRVENPELVQYFGGDPEGLELALERMARRKFRFLVSMQRLSKFKDDEMENAEFLLRAYPDLQIAYLDEEPALNEDEEPRVYSALIDGHCEMLENGRRRPKFRVQLSGNPILGDGKSDNQNHAVIFHRGEYIQLIDANQDNYLEECLKIRSVLAEFEEMNVEHVNPYAPNLKSEDNNTKKDP
  
Inhibitor
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:
Search PDB for entries with ligand similarity: