Reaction Details Report a problem with these data
Target
1,3-beta-D-glucan synthase catalytic subunit
Ligand
BDBM50327021
Substrate
n/a
Meas. Tech.
ChEMBL_663643 (CHEMBL1251396)
IC50
15000±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:
BDBM50327021
Synonyms:
((1R,2R,3R,5S)-5-((5-amino-1-(4-(octyloxy)phenylamino)-1-oxopentan-2-yl)carbamoyl)-2,3,5-trihydroxycyclohexyl) 3-(3,4-dihydroxyphenyl)acrylate | ((1R,2R,3R,5S)-5-(5-amino-1-(4-(octyloxy)phenylamino)-1-oxopentan-2-ylcarbamoyl)-2,3,5-trihydroxycyclohexyl)3-(3,4-dihydroxyphenyl)acrylate | CHEMBL396608
Type:
Small organic molecule
Emp. Form.:
C35H49N3O10
Mol. Mass.:
671.7777
SMILES:
CCCCCCCCOc1ccc(NC(=O)C(CCCN)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 |w:16.16|
Structure:
Search PDB for entries with ligand similarity: