Reaction Details Report a problem with these data
Target
Lysosomal acid glucosylceramidase
Ligand
BDBM50101398
Substrate
n/a
Meas. Tech.
ChEMBL_1460503 (CHEMBL3395305)
pH
7.3±n/a
Ki
11100±n/a nM
Comments
extracted
Citation
 Castilla, J; Rísquez, R; Higaki, K; Nanba, E; Ohno, K; Suzuki, Y; Díaz, Y; Ortiz Mellet, C; García Fernández, JM; Castillón, S Conformationally-locked N-glycosides: exploiting long-range non-glycone interactions in the design of pharmacological chaperones for Gaucher disease. Eur J Med Chem 90:258-66 (2015) [PubMed]  Article 
Target
Name:
Lysosomal acid glucosylceramidase
Synonyms:
Acid beta-glucosidase | D-glucosyl-N-acylsphingosine glucohydrolase | GBA | GBA1 | GBA1_BOVIN | Glucosylceramidase
Type:
PROTEIN
Mol. Mass.:
59862.93
Organism:
Bos taurus
Description:
ChEMBL_1460504
Residue:
536
Sequence:
MELSSPSREEYPMPRGRVGIMAASLMGLLLLHTVSWVSGARPCSPKSFGYSSVVCVCNGTYCDSLDPLTLPDPGTFSRFESTRSGRRMELSLGTIQANRTGTGLLLTLQPDQKFQKVKGFGGAMTDAAALNILALSPAARNLLLKSYFSEEGIEYNIIRVPMASCDFSIRTYTYDDSPDDFQLLNFSLPEEDVKLKIPLIHQALELANRSVSLFASPWTSPTWLKTNGAVNGKGTLKGQAGDLYHKTWARYFVKFLDAYAEHKLRFWAVTAENEPTAGLLTGYPFQCLGFTPEHQRDFIARDLGPILANSTHRDVRLLMLDDQRLLLPRWAQVVLADPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMRYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDIAKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASKKSDLDTVALLRPDGSAVAVVLNRSSKDVPLTIKDPAVGFMETVSPGYSIHTYLWRRQ
  
Inhibitor
Name:
BDBM50101398
Synonyms:
CHEMBL3393930
Type:
Small organic molecule
Emp. Form.:
C23H42FNO5S
Mol. Mass.:
463.647
SMILES:
[H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCF)=N2 |r,c:32|
Structure:
Search PDB for entries with ligand similarity: