Reaction Details Report a problem with these data
Target
1,3-beta-D-glucan synthase catalytic subunit
Ligand
BDBM50485363
Substrate
n/a
Meas. Tech.
ChEMBL_830523 (CHEMBL2061335)
IC50
56.7±n/a nM
Citation
 Kuang, R; Wu, H; Ting, PC; Aslanian, RG; Cao, J; Kim, DW; Lee, JF; Schwerdt, J; Zhou, G; Herr, RJ; Zych, AJ; Yang, J; Lam, SQ; Jenkins, DM; Sakwa, SA; Wainhaus, S; Black, TA; Cacciapuoti, A; McNicholas, PM; Xu, Y; Walker, SS The optimization of pyridazinone series of glucan synthase inhibitors. Bioorg Med Chem Lett 22:5268-71 (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:
BDBM50485363
Synonyms:
CHEMBL2059473
Type:
Small organic molecule
Emp. Form.:
C26H29ClN4O4S
Mol. Mass.:
529.051
SMILES:
CC1(COc2c(cnn(-c3cccc(Cl)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2ccccc2)CC1
Structure:
Search PDB for entries with ligand similarity: