Reaction Details
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1,3-beta-glucan synthase
Ligand
BDBM111594
Substrate
n/a
Meas. Tech.
Glucan Synthase Assay
pH
8±n/a
Temperature
303.15±n/a K
IC50
8000±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:
1,3-beta-glucan synthase | Beta-1,3-glucan synthase | Glucan Synthase
Type:
Enzyme
Mol. Mass.:
218006.59
Organism:
Candida albicans (Yeast)
Description:
O13428
Residue:
1897
Sequence:
MSYNDNNNHYYDPNQQGGMPPHQGGEGYYQQQYDDMGQQPHQQDYYDPNAQYQQQPYDMDGYQDQANYGGQPMNAQGYNADPEAFSDFSYGGQTPGTPGYDQYGTQYTPSQMSYGGDPRSSGASTPIYGGQGQGYDPTQFNMSSNLPYPAWSADPQAPIKIEHIEDIFIDLTNKFGFQRDSMRNMFDYFMTLLDSRSSRMSPAQALLSLHADYIGGDNANYRKWYFSSQQDLDDSLGFANMTLGKIGRKARKASKKSKKARKAAEEHGQDVDALANELEGDYSLEAAEIRWKAKMNSLTPEERVRDLALYLLIWGEANQVRFTPECLCYIYKSATDYLNSPLCQQRQEPVPEGDYLNRVITPLYRFIRSQVYEIYDGRFVKREKDHNKVIGYDDVNQLFWYPEGISRIIFEDGTRLVDIPQEERFLKLGEVEWKNVFFKTYKEIRTWLHFVTNFNRIWIIHGTIYWMYTAYNSPTLYTKHYVQTINQQPLASSRWAACAIGGVLASFIQILATLFEWIFVPREWAGAQHLSRRMLFLVLIFLLNLVPPVYTFQITKLVIYSKSAYAVSIVGFFIAVATLVFFAVMPLGGLFTSYMNKRSRRYIASQTFTANYIKLKGLDMWMSYLLWFLVFLAKLVESYFFSTLSLRDPIRNLSTMTMRCVGEVWYKDIVCRNQAKIVLGLMYLVDLLLFFLDTYMWYIICNCIFSIGRSFYLGISILTPWRNIFTRLPKRIYSKILATTEMEIKYKPKVLISQIWNAIVISMYREHLLAIDHVQKLLYHQVPSEIEGKRTLRAPTFFVSQDDNNFETEFFPRNSEAERRISFFAQSLATPMPEPLPVDNMPTFTVFTPHYSEKILLSLREIIREDDQFSRVTLLEYLKQLHPVEWDCFVKDTKILAEETAAYENGDDSEKLSEDGLKSKIDDLPFYCIGFKSAAPEYTLRTRIWASLRSQTLYRTVSGFMNYARAIKLLYRVENPELVQYFGGDPEGLELALERMARRKFRFLVSMQRLSKFKDDEMENAEFLLRAYPDLQIAYLDEEPALNEDEEPRVYSALIDGHCEMLENGRRRPKFRVQLSGNPILGDGKSDNQNHAVIFHRGEYIQLIDANQDNYLEECLKIRSVLAEFEEMNVEHVNPYAPNLKSEDNNTKKDPVAFLGAREYIFSENSGVLGDVAAGKEQTFGTLFARTLAQIGGKLHYGHPDFLNATFMLTRGGVSKAQKGLHLNEDIYAGMNAMMRGGKIKHCEYYQCGKGRDLGFGSILNFTTKIGAGMGEQMLSREYFYLGTQLPLDRFLSFYYGHPGFHINNLFIQLSLQVFILVLGNLNSLAHEAIMCSYNKDVPVTDVLYPFGCYNIAPAVDWIRRYTLSIFIVFFISFIPLVVQELIERGVWKAFQRFVRHFISMSPFFEVFVAQIYSSSVFTDLTVGGARYISTGRGFATSRIPFSILYSRFADSSIYMGARLMLILLFGTVSHWQAPLLWFWASLSALMFSPFIFNPHQFAWEDFFLDYRDFIRWLSRGNTKWHRNSWIGYVRLSRSRITGFKRKLTGDVSEKAAGDASRAHRSNVLFADFLPTLIYTAGLYVAYTFINAQTGVTSYPYEINGSTDPQPVNSTLRLIICALAPVVIDMGCLGVCLAMACCAGPMLGLCCKKTGAVIAGVAHGVAVIVHIIFFIVMWVTEGFNFARLMLGIATMIYVQRLLFKFLTLCFLTREFKNDKANTAFWTGKWYNTGMGWMAFTQPSREFVAKIIEMSEFAGDFVLAHIILFCQLPLLFIPLVDRWHSMMLFWLKPSRLIRPPIYSLKQARLRKRMVRKYCVLYFAVLILFIVIIVAPAVASGQIAVDQFANIGGSGSIADGLFQPRNVSNNDTGNHRPKTYTWSYLSTRFTGSTTPYSTNPFRV
Inhibitor
Name:
BDBM111594
Synonyms:
US8624022, OGT4154
Type:
Small organic molecule
Emp. Form.:
C27H29ClN4O3
Mol. Mass.:
492.997
SMILES:
N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 |r|
Structure:
