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Target
1,3-beta-D-glucan synthase catalytic subunit
Ligand
BDBM50499811
Substrate
n/a
Meas. Tech.
ChEMBL_1541190 (CHEMBL3745192)
IC50
56.5±n/a nM
Citation
 Apgar, JM; Wilkening, RR; Greenlee, ML; Balkovec, JM; Flattery, AM; Abruzzo, GK; Galgoci, AM; Giacobbe, RA; Gill, CJ; Hsu, MJ; Liberator, P; Misura, AS; Motyl, M; Nielsen Kahn, J; Powles, M; Racine, F; Dragovic, J; Habulihaz, B; Fan, W; Kirwan, R; Lee, S; Liu, H; Mamai, A; Nelson, K; Peel, M Novel orally active inhibitors of ?-1,3-glucan synthesis derived from enfumafungin. Bioorg Med Chem Lett 25:5813-8 (2015) [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:
BDBM50499811
Synonyms:
CHEMBL3742174
Type:
Small organic molecule
Emp. Form.:
C37H62N6O4
Mol. Mass.:
654.926
SMILES:
[H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(N)C(C)C)n3nnnc3N)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:33|
Structure:
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