Reaction Details Report a problem with these data
Target
1,3-beta-D-glucan synthase catalytic subunit
Ligand
BDBM50327026
Substrate
n/a
Meas. Tech.
ChEMBL_663643 (CHEMBL1251396)
IC50
>81000±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:
BDBM50327026
Synonyms:
(1S,3R,4S,5R)-1,3,4,5-tetrahydroxy-N-(4-(octyloxy)phenyl)cyclohexanecarboxamide | CHEMBL1254587
Type:
Small organic molecule
Emp. Form.:
C21H33NO6
Mol. Mass.:
395.4898
SMILES:
CCCCCCCCOc1ccc(NC(=O)[C@@]2(O)C[C@@H](O)[C@H](O)[C@H](O)C2)cc1 |r,wU:19.19,16.15,wD:16.16,23.23,21.21,(.67,7.39,;-.87,7.39,;-1.63,6.06,;-3.17,6.06,;-3.93,4.73,;-5.47,4.73,;-6.23,3.39,;-7.77,3.39,;-8.52,2.05,;-8.52,.51,;-9.85,-.27,;-9.85,-1.81,;-8.52,-2.59,;-8.52,-4.13,;-7.18,-4.9,;-7.18,-6.45,;-5.84,-4.13,;-5.86,-2.58,;-4.51,-3.35,;-3.18,-4.13,;-1.84,-3.36,;-3.18,-5.68,;-1.85,-6.45,;-4.52,-6.44,;-4.53,-7.99,;-5.85,-5.67,;-7.18,-1.81,;-7.18,-.26,)|
Structure:
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