Reaction Details
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1,3-beta-glucan synthase
Ligand
BDBM111591
Substrate
n/a
Meas. Tech.
Glucan Synthase Assay
pH
8±n/a
Temperature
303.15±n/a K
IC50
23000±n/a nM
Citation
Carr, AD; Neuss, JC; Orchard, MG; Porter, DW Substituted aniline derivatives US Patent US8624022 Publication Date 1/7/2014 More Info.:
Target
Name:
1,3-beta-glucan synthase
Synonyms:
Glucan Synthase
Type:
Enzyme
Mol. Mass.:
218165.65
Organism:
Neosartorya fumigata (Aspergillus fumigatus)
Description:
Q4WLT4
Residue:
1904
Sequence:
MSGYQQGGGHYNDGYGHQEHGDSFYQDEHGQAYYDHDYGDGYYDRSGYYGPDSNHNQQEGGYYDAGQPHDDYYGDHYYDQGNGQQGYDNRGRRRGDSEEDSETFSDFTMRSETARAADMDYYGRGDERYNSYADSQYGGRGYGYRPPSSQISYGANRSSGASTPVYGMDYGNALPAGQRSREPYPAWASDGQVPVSKEEIEDIFLDLVNKFGFQRDSMRNMYDHLMTMLDSRASRMTPNQALLSLHADYIGGDNANYRRWYFAAHLDLDDAVGFANMKLGKADRKTRKARKAAKKAAQQNPENVEETLEALEGDNSLEAAEYRWKTRMNKMSQHDRVRQLALFLLCWGEANQVRFLPECLCFIFKCADDYYNSPECQNRVEPVEEFTYLNEIITPLYQYCRDQGYEIVDGKYVRRERDHNQIIGYDDMNQLFWYPEGIERIALEDKTRLVDIPPAERWTKLKDVVWKKAFFKTYKETRSWFHMITNFNRIWVIHLGAFWFFTAFNAQSLYTDNYQQQVNNKPPGYRIWSAVGFGGALVSFIQIAATICEWMYVPRRWAGAQHLTKRLMFLILVFVINLAPGVFVFAYSKSMGISKTIPLIVGIVHFFVALATFVFFSVMPLGGLFGSYLKKHGRQYVASQTFTASFPRLHGNDMWMSYGLWVCVFGAKLAESYFFLTLSFKDPIRILSPMQIHQCAGVKYIGNVLCHKQPQILLGLMFFMDLTLFFLDSYLWYIICNTVFSVARSFYLGVSIWSPWRNIFSRLPKRIYSKVLATTDMEIKYKPKVLISQVWNAIIISMYREHLLAIDHVQKLLYHQVPSEQEGKRTLRAPTFFVSQEDQSFKTEFFPPGSEAERRISFFAQSLSTPMPEPLPVDNMPTFTVLIPHYSEKILLSLREIIREDEPYSRVTLLEYLKQLHPHEWDCFVKDTKILADETSQFNGEPEKSEKDVAKSKIDDLPFYCIGFKSAAPEYTLRTRIWSSLRSQTLYRTVSGFMNYSRAIKLLYRVENPEVVQMFGGNSEKLERELERMARRKFKIVVSMQRYAKFNKEERENTEFLLRAYPDLQIAYLDEEPPVNEGEEPRLYSALIDGHCELLENGMRKPKFRIQLSGNPILGDGKSDNQNHSIIFYRGEYIQVIDANQDNYLEECLKIRSVLAEFEELTTDNVSPYTPGIPSTNTNPVAILGAREYIFSENIGVLGDVAAGKEQTFGTLFARTLAQIGGKLHYGHPDFLNGIFMTTRGGISKAQKGLHLNEDIYAGMNAMIRGGRIKHCEYYQCGKGRDLGFGSILNFTTKIGTGMGEQMLSREYYYLGTQLPLDRFLSFYYAHPGFHINNMFIMLSVQMFMIVLINLGALKHETITCRYNPDLPITDPLRPTYCANLTPIVDWVNRCIISIFIVFFISFVPLAVQELTERGVWRMAMRLAKHFGSVSFMFEVFVCQIYANAVHQNLSFGGARYIGTGRGFATARIPFGVLYSRFAGPSIYAGARSLLMLLFATSTVWTAALIWFWVSLLALCISPFLFNPHQFAWNDFFIDYRDYLRWLSRGNSRSHASSWIGFCRLSRTRITGYKRKLLGVPSEKGSGDVPRARLTNIFFSEIIAPLVLVAVTLVPYLYINSRTGVRDNPEPTDAILRLAIVAAGPIAINAGVAGVFFGMACCMGPIFSMCCKKFGAVLAAIAHAIAVIVLLAIFEVMFFLESWSWPRMLIGMIAAAAIQRFIYKLIIALALTREFKHDQSNIAWWTGKWYNMGWHSMSQPGREFLCKITELGYFSADFVLGHVLLFAMLPALCVPFIDKFHSVMLFWLRPSRQIRPPIYSLKQSKLRKRRVIRFAILYFGMLILFLVLLIAPLVVRSMGLVKTPNLPFNLLQPLDKDNNDTMVTYTGNNIPAGFEPVESASSVATATS
Inhibitor
Name:
BDBM111591
Synonyms:
US8624022, OGT4355
Type:
Small organic molecule
Emp. Form.:
C29H31N3O2
Mol. Mass.:
453.5753
SMILES:
CCc1cccc(c1)-c1ccc(cc1)N(CC(=O)N1CC[C@H](N)C1)C(=O)\C=C\c1ccccc1 |r|
Structure:
