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Target
1,3-beta-D-glucan synthase catalytic subunit
Ligand
BDBM50485327
Substrate
n/a
Meas. Tech.
ChEMBL_827592 (CHEMBL2049671)
IC50
97.2±n/a nM
Citation
 Zych, AJ; Lam, SQ; Jenkins, DM; Herr, RJ; Ting, PC; Lee, JF; Kuang, R; Wu, H; Kim, DW; Aslanian, RG; Wainhaus, S; Black, TA; Cacciapuoti, A; McNicholas, PM; Xu, Y; Walker, SS Lead optimization of a sulfonylurea-based piperazine pyridazinone series of glucan synthase inhibitors. Bioorg Med Chem Lett 22:4896-9 (2012) [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:
BDBM50485327
Synonyms:
CHEMBL2046736
Type:
Small organic molecule
Emp. Form.:
C28H33ClN6O4S2
Mol. Mass.:
617.182
SMILES:
Cc1nc2ccc(CNS(=O)(=O)N3CCN(CC3)C(\C=N)=C(/OCC3(C)CC3)C(=O)Nc3cccc(Cl)c3)cc2s1
Structure:
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