Reaction Details Report a problem with these data
Target
1,3-beta-D-glucan synthase catalytic subunit
Ligand
BDBM50327028
Substrate
n/a
Meas. Tech.
ChEMBL_663643 (CHEMBL1251396)
IC50
>63000±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:
BDBM50327028
Synonyms:
4-(4-(octyloxy)phenylamino)-4-oxo-3-((1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxamido)butanoic acid | CHEMBL1254666
Type:
Small organic molecule
Emp. Form.:
C25H38N2O9
Mol. Mass.:
510.5772
SMILES:
CCCCCCCCOc1ccc(NC(=O)C(CC(O)=O)NC(=O)[C@@]2(O)C[C@@H](O)[C@H](O)[C@H](O)C2)cc1 |r,wU:24.23,27.27,wD:24.24,31.31,29.29,(29.08,7.77,;27.54,7.77,;26.78,6.44,;25.25,6.44,;24.49,5.11,;22.95,5.11,;22.19,3.78,;20.66,3.78,;19.9,2.44,;19.91,.9,;18.58,.13,;18.58,-1.41,;19.91,-2.18,;19.91,-3.72,;21.25,-4.49,;21.24,-6.03,;22.58,-3.72,;22.58,-2.18,;23.91,-1.41,;23.91,.13,;25.25,-2.18,;23.91,-4.49,;23.91,-6.03,;22.58,-6.8,;25.25,-6.8,;25.23,-5.26,;26.57,-6.03,;27.9,-6.8,;29.24,-6.04,;27.9,-8.35,;29.23,-9.12,;26.56,-9.11,;26.56,-10.65,;25.24,-8.34,;21.25,-1.41,;21.24,.14,)|
Structure:
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