Reaction Details Report a problem with these data
Target
Lysosomal acid glucosylceramidase
Ligand
BDBM50639865
Substrate
n/a
Meas. Tech.
ChEMBL_2445669
Kd
250±n/a nM
Citation
 Palmer, N; Agnew, C; Benn, C; Buffham, WJ; Castro, JN; Chessari, G; Clark, M; Cons, BD; Coyle, JE; Dawson, LA; Hamlett, CCF; Hodson, C; Holding, F; Johnson, CN; Liebeschuetz, JW; Mahajan, P; McCarthy, JM; Murray, CW; O'Reilly, M; Peakman, T; Price, A; Rapti, M; Reeks, J; Schöpf, P; St-Denis, JD; Valenzano, C; Wallis, NG; Walser, R; Weir, H; Wilsher, NE; Woodhead, A; Bento, CF; Tisi, D Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of β-Glucocerebrosidase. J Med Chem 67:11168-11181[PubMed] 
Target
Name:
Lysosomal acid glucosylceramidase
Synonyms:
Acid beta-glucosidase | Alglucerase | Beta-glucocerebrosidase | Beta-glucocerebrosidase (GC) | D-glucosyl-N-acylsphingosine glucohydrolase | GCase | Glucocerebrosidase (GBA) | Glucosylceramidase (GBA) | Glucosylceramidase (GCase) | Glucosylceramidase precursor (Beta-glucocerebrosidase) (Acid beta-glucosidase) (D-glucosyl-N-acylsphingosine glucohydrolase) (Alglucerase) (Imiglucerase) | Imiglucerase | beta-glucocerebrosidase (GCase) | GBA1_HUMAN | GBA1 | GBA | GC | GLUC
Type:
Enzyme
Mol. Mass.:
59724.64
Organism:
Human
Description:
The beta-Glu activity was measured with commercially available beta-glucocerebrosidase (Ceredase) as the enzyme source.
Residue:
536
Sequence:
MEFSSPSREECPKPLSRVSIMAGSLTGLLLLQAVSWASGARPCIPKSFGYSSVVCVCNATYCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWRRQ
  
Inhibitor
Name:
BDBM50639865
Synonyms:
CHEMBL5567786
Type:
Small organic molecule
Emp. Form.:
C15H15ClF2N2O2S
Mol. Mass.:
360.81
SMILES:
CN(C[C@H](N)c1cccc(Cl)c1)S(=O)(=O)c1cc(F)cc(F)c1
Structure:
Search PDB for entries with ligand similarity: