Reaction Details Report a problem with these data
Target
Lysosomal acid glucosylceramidase
Ligand
BDBM18445
Substrate
BDBM18429
Meas. Tech.
GC Enzyme Assay
pH
5.9±n/a
Temperature
294.15±n/a K
Ki
13400±n/a nM
IC50
6460±n/a nM
Km
28000±n/a nM
Citation
 Zheng, W; Padia, J; Urban, DJ; Jadhav, A; Goker-Alpan, O; Simeonov, A; Goldin, E; Auld, D; LaMarca, ME; Inglese, J; Austin, CP; Sidransky, E Three classes of glucocerebrosidase inhibitors identified by quantitative high-throughput screening are chaperone leads for Gaucher disease. Proc Natl Acad Sci U S A 104:13192-7 (2007) [PubMed]  Article 
Target
Name:
Lysosomal acid glucosylceramidase
Synonyms:
Acid beta-glucosidase | Alglucerase | Beta-glucocerebrosidase | Beta-glucocerebrosidase (GC) | D-glucosyl-N-acylsphingosine glucohydrolase | GBA | GBA1 | GBA1_HUMAN | GC | GCase | GLUC | Glucocerebrosidase (GBA) | Glucosylceramidase (GBA) | Glucosylceramidase (GCase) | Glucosylceramidase precursor (Beta-glucocerebrosidase) (Acid beta-glucosidase) (D-glucosyl-N-acylsphingosine glucohydrolase) (Alglucerase) (Imiglucerase) | Imiglucerase | beta-glucocerebrosidase (GCase)
Type:
Enzyme
Mol. Mass.:
59724.64
Organism:
Homo sapiens (Human)
Description:
The beta-Glu activity was measured with commercially available beta-glucocerebrosidase (Ceredase) as the enzyme source.
Residue:
536
Sequence:
MEFSSPSREECPKPLSRVSIMAGSLTGLLLLQAVSWASGARPCIPKSFGYSSVVCVCNATYCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWRRQ
  
Inhibitor
Name:
BDBM18445
Synonyms:
4-benzenesulfonamido-N-phenylbenzamide | Sulfonamide analogue, 25
Type:
Small organic molecule
Emp. Form.:
C19H16N2O3S
Mol. Mass.:
352.407
SMILES:
O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM18429
Synonyms:
3-Phenoxazone 7-(beta-D-glucopyranoside) | 7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H-phenoxazin-3-one | resorufin-beta-D-glucopyranoside
Type:
Small organic molecule
Emp. Form.:
C18H17NO8
Mol. Mass.:
375.3295
SMILES:
OC[C@H]1O[C@@H](Oc2ccc3nc4ccc(=O)cc4oc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Structure:
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