Reaction Details Report a problem with these data
Target
Non-lysosomal glucosylceramidase
Ligand
BDBM50028188
Substrate
n/a
Meas. Tech.
ChEMBL_1435476 (CHEMBL3384691)
IC50
1.000000±n/a nM
Citation
 Ghisaidoobe, AT; van den Berg, RJ; Butt, SS; Strijland, A; Donker-Koopman, WE; Scheij, S; van den Nieuwendijk, AM; Koomen, GJ; van Loevezijn, A; Leemhuis, M; Wennekes, T; van der Stelt, M; van der Marel, GA; van Boeckel, CA; Aerts, JM; Overkleeft, HS Identification and development of biphenyl substituted iminosugars as improved dual glucosylceramide synthase/neutral glucosylceramidase inhibitors. J Med Chem 57:9096-104 (2014) [PubMed]  Article 
Target
Name:
Non-lysosomal glucosylceramidase
Synonyms:
Beta-glucosidase | GBA2 | GBA2_HUMAN | KIAA1605 | SPG46
Type:
PROTEIN
Mol. Mass.:
104639.04
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1435476
Residue:
927
Sequence:
MGTQDPGNMGTGVPASEQISCAKEDPQVYCPEETGGTKDVQVTDCKSPEDSRPPKETDCCNPEDSGQLMVSYEGKAMGYQVPPFGWRICLAHEFTEKRKPFQANNVSLSNMIKHIGMGLRYLQWWYRKTHVEKKTPFIDMINSVPLRQIYGCPLGGIGGGTITRGWRGQFCRWQLNPGMYQHRTVIADQFTVCLRREGQTVYQQVLSLERPSVLRSWNWGLCGYFAFYHALYPRAWTVYQLPGQNVTLTCRQITPILPHDYQDSSLPVGVFVWDVENEGDEALDVSIMFSMRNGLGGGDDAPGGLWNEPFCLERSGETVRGLLLHHPTLPNPYTMAVAARVTAATTVTHITAFDPDSTGQQVWQDLLQDGQLDSPTGQSTPTQKGVGIAGAVCVSSKLRPRGQCRLEFSLAWDMPRIMFGAKGQVHYRRYTRFFGQDGDAAPALSHYALCRYAEWEERISAWQSPVLDDRSLPAWYKSALFNELYFLADGGTVWLEVLEDSLPEELGRNMCHLRPTLRDYGRFGYLEGQEYRMYNTYDVHFYASFALIMLWPKLELSLQYDMALATLREDLTRRRYLMSGVMAPVKRRNVIPHDIGDPDDEPWLRVNAYLIHDTADWKDLNLKFVLQVYRDYYLTGDQNFLKDMWPVCLAVMESEMKFDKDHDGLIENGGYADQTYDGWVTTGPSAYCGGLWLAAVAVMVQMAALCGAQDIQDKFSSILSRGQEAYERLLWNGRYYNYDSSSRPQSRSVMSDQCAGQWFLKACGLGEGDTEVFPTQHVVRALQTIFELNVQAFAGGAMGAVNGMQPHGVPDKSSVQSDEVWVGVVYGLAATMIQEGLTWEGFQTAEGCYRTVWERLGLAFQTPEAYCQQRVFRSLAYMRPLSIWAMQLALQQQQHKKASWPKVKQGTGLRTGPMFGPKEAMANLSPE
  
Inhibitor
Name:
BDBM50028188
Synonyms:
CHEMBL3354019
Type:
Small organic molecule
Emp. Form.:
C22H39NO5
Mol. Mass.:
397.5488
SMILES:
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1C2CC3CC(C2)CC1C3 |r,wU:5.5,2.1,wD:7.7,3.3,TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(6.64,-8.49,;5.33,-9.31,;5.38,-10.85,;4.07,-11.65,;2.71,-10.93,;4.12,-13.19,;2.81,-13.99,;5.47,-13.92,;5.51,-15.46,;6.78,-13.11,;6.74,-11.57,;8.05,-10.76,;9.41,-11.49,;10.72,-10.68,;12.07,-11.41,;13.38,-10.6,;14.74,-11.33,;16.05,-10.52,;17.4,-11.25,;17.41,-12.73,;16.21,-14.01,;17.71,-13.59,;19.12,-14.15,;20.13,-12.88,;18.74,-13.22,;20.14,-11.35,;18.75,-10.77,;17.71,-12,)|
Structure:
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