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Target
Lactase/phlorizin hydrolase
Ligand
BDBM50182801
Substrate
n/a
Meas. Tech.
ChEMBL_763052 (CHEMBL1820869)
IC50
120±n/a nM
Citation
 Kato, A; Miyauchi, S; Kato, N; Nash, RJ; Yoshimura, Y; Nakagome, I; Hirono, S; Takahata, H; Adachi, I Docking and SAR studies of D- and L-isofagomine isomers as humanß-glucocerebrosidase inhibitors. Bioorg Med Chem 19:3558-68 (2011) [PubMed]  Article 
Target
Name:
Lactase/phlorizin hydrolase
Synonyms:
LPH_RAT | Lactase-glycosylceramidase | Lct | Lph
Type:
PROTEIN
Mol. Mass.:
217253.31
Organism:
Rattus norvegicus
Description:
ChEMBL_96426
Residue:
1928
Sequence:
MELPWTALFLSTVLLGLSCQGSDWESDRNFISAAGPLTNDLVLNLNYPPGKQGSDVVSGNTDHLLCQQPLPSFLSQYFSSLRASQVTHYKVLLSWAQLLPTGSSKNPDQEAVQCYRQLLQSLKDAQLEPMVVLCHQTPPTSSAIQREGAFADLFADYATLAFQSFGDLVEIWFTFSDLEKVIMDLPHKDLKASALQTLSNAHRRAFEIYHRKFSSQGGKLSVVLKAEDIPELLPDPALAALVQGSVDFLSLDLSYECQSVATLPQKLSELQNLEPKVKVFIYTLKLEDCPATGTSPSSLLISLLEAINKDQIQTVGFDVNAFLSCTSNSEESPSCSLTDSLALQTEQQQETAVPSSPGSAYQRVWAAFANQSREERDAFLQDVFPEGFLWGISTGAFNVEGGWAEGGRGPSIWDHYGNLNAAEGQATAKVASDSYHKPASDVALLRGIRAQVYKFSISWSGLFPLGQKSTPNRQGVAYYNKLIDRLLDSHIEPMATLFHWDLPQALQEQGGWQNESVVEAFLDYAAFCFSTFGDRVKLWVTFHEPWVMSYAGYGTGQHAPAISDPGMASFKVAHLILKAHARTWHLYDLHHRLQQQGRVGIVLNSDLAEPLDRKSPQDLAAAERFLHFMLGWFAHPIFVDGDYPTTSAQIQHINQQCGHPLAQLPEFTEAEKRLLKGSADFLGLSHYTSRLISKAGRQTCTSSYDNIGGFSQHVDPEWPQTASPWIRVVPWGIRRLLRFASMEYTKGKLPIFLAGNGMPVGEEADLFDDSVRVNYFNWYINEVLKAVKEDLVDVRSYIVRSLIDGYEGPLGFSQRFGLYHVNFNDSSRPRTPRKSAYLFTSIIEKNGFSAKKVKRNPLPVRADFTSRARVTDSLPSEVPSKAKISVEKFSKQPRFERDLFYDGRFRDDFLWGVSSSPYQIEGGWNADGKGPSIWDNFTHTPGNGVKDNATGDVACDSYHQLDADLNILRTLKVKSYRFSISWSRIFPTGRNSTINKQGVDYYNRLIDSLVDNNIFPMVTLFHWDLPQALQDIGGWENPSLIELFDSYADYCFKTFGDRVKFWMTFNEPWCHVVLGYSSGIFPPSVQEPGWLPYKVSHIVIKAHARVYHTYDEKYRSEQKGVISLSLNTHWAEPKDPGLQRDVEAADRMLQFTMGWFAHPIFKNGDYPDVMKWTVGNRSELQHLASSRLPTFTEEEKNYVRGTADVFCHNTYTSVFVQHSTPRLNPPSYDDDMELKLIEMNSSTGVMHQDVPWGTRRLLNWIKEEYGNIPIYITENGQGLENPTLDDTERIFYHKTYINEALKAYKLDGVDLRGYSAWTLMDDFEWLLGYTMRFGLYYVDFNHVSRPRTARASARYYPDLIANNGMPLAREDEFLYGEFPKGFIWSAASASYQVEGAWRADGKGLSIWDTFSHTPLRIGNDDNGDVACDSYHKIAEDVVALQNLGVSHYRFSIAWSRILPDGTTKFINEAGLSYYVRFIDALLAAGITPQVTIYHWDLPQALQDVGGWENETIVQRFKEYADVLFQRLGDRVKFWITLNEPFVIAAQGYGTGVSAPGISFRPGTAPYIAGHNLIKAHAEAWHLYNDVYRARQGGTISITISSDWGEPRDPTNREHVEAARSYVQFMGGWFAHPIFKNGDYPEVMKTRIRDRSLGAGLNKSRLPEFTESEKSRIKGTFDFFGFNHNTTVLAYNLDYPAAFSSFDADRGVASIADSSWPVSGSFWLKVTPFGFRRILNWLKEEYNNPPIYVTENGVSRRGEPELNDTDRIYYLRSYINEALKAVHDKVDLRGYTVWSIMDNFEWATGFAERFGVHFVNRSDPSLPRIPRASAKFYATIVRCNGFPDPAQGPHPCLQQPEDAAPTASPVQSEVPFLGLMLGIAEAQTALYVLFALLLLGACSLAFLTYNTGRRSKQGNAQPSQHQLSPISSF
  
Inhibitor
Name:
BDBM50182801
Synonyms:
(3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8 | (3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE | AFEGOSTAT TARTRATE | CHEMBL206468 | D-Isofagomine | US10081601, Example 1.1 | US9796680, Example Table2.1 | isofagomine
Type:
Small organic molecule
Emp. Form.:
C6H13NO3
Mol. Mass.:
147.1723
SMILES:
OC[C@H]1CNC[C@@H](O)[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: