Reaction Details Report a problem with these data
Target
1,3-beta-D-glucan synthase catalytic subunit
Ligand
BDBM50327022
Substrate
n/a
Meas. Tech.
ChEMBL_663643 (CHEMBL1251396)
IC50
41000±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:
BDBM50327022
Synonyms:
((1R,2R,3R,5S)-2,3,5-trihydroxy-5-((4-(octyloxy)phenyl)carbamoyl)cyclohexyl) 3-(3,4-dihydroxyphenyl)acrylate | ((1R,2R,3R,5S)-2,3,5-trihydroxy-5-(4-(octyloxy)phenylcarbamoyl)cyclohexyl)3-(3,4-dihydroxyphenyl)acrylate | CHEMBL438668
Type:
Small organic molecule
Emp. Form.:
C30H39NO9
Mol. Mass.:
557.632
SMILES:
CCCCCCCCOc1ccc(NC(=O)[C@]2(O)C[C@@H](O)[C@@H](O)[C@@H](C2)OC(=O)\C=C\c2ccc(O)c(O)c2)cc1
Structure:
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