Reaction Details Report a problem with these data
Target
Beta-glucosidase
Ligand
BDBM50018016
Substrate
n/a
Meas. Tech.
ChEMBL_1366788 (CHEMBL3297223)
Ki
220000±n/a nM
Citation
 Zoidl, M; Müller, B; Torvisco, A; Tysoe, C; Benazza, M; Siriwardena, A; Withers, SG; Wrodnigg, TM Concise synthesis of C-1-cyano-iminosugars via a new Staudinger/aza Wittig/Strecker multicomponent reaction strategy. Bioorg Med Chem Lett 24:2777-80 (2014) [PubMed]  Article 
Target
Name:
Beta-glucosidase
Synonyms:
BGLS_RHIRD | cbg-1
Type:
PROTEIN
Mol. Mass.:
88266.88
Organism:
Agrobacterium tumefaciens
Description:
ChEMBL_1366789
Residue:
818
Sequence:
MIDDILDKMTLEEQVSLLSGADFWTTVAIERLGVPKIKVTDGPNGARGGGSLVGGVKSACFPVAIALGATWDPELIERAGVALGGQAKSKGASVLLAPTVNIHRSGLNGRNFECYSEDPALTAACAVAYINGVQSQGVAATIKHFVANESEIERQTMSSDVDERTLREIYLPPFEEAVKKAGVKAVMSSYNKLNGTYTSENPWLLTKVLREEWGFDGVVMSDWFGSHSTAETINAGLDLEMPGPWRDRGEKLVAAVREGKVKAETVRASARRILLLLERVGAFEKAPDLAEHALDLPEDRALIRQLGAEGAVLLKNDGVLPLAKSSFDQIAVIGPNAASARVMGGGSARIAAHYTVSPLEGIRAALSNANSLRHAVGCNNNRLIDVFSGEMTVEYFKGRGFESRPVHVETVEKGEFFWFDLPSGDLDLADFSARMTATFVPQETGEHIFGMTNAGLARLFVDGELVVDGYDGWTKGENFFGTANSEQRRAVTLGAARRYRVVVEYEAPKASLDGINICALRFGVEKPLGDAGIAEAVETARKSDIVLLLVGREGEWDTEGLDLPDMRLPGRQEELIEAVAETNPNVVVVLQTGGPIEMPWLGKVRAVLQMWYPGQELGNALADVLFGDVEPAGRLPQTFPKALTDNSAITDDPSIYPGQDGHVRYAEGIFVGYRHHDTREIEPLFPFGFGLGYTRFTWGAPQLSGTEMGADGLTVTVDVTNIGDRAGSDVVQLYVHSPNARVERPFKELRAFAKLKLAPGATGTAVLKIAPRDLAYFDVEAGRFRADAGKYELIVAASAIDIRASVSIHLPVDHVMEP
  
Inhibitor
Name:
BDBM50018016
Synonyms:
CHEMBL3289677
Type:
Small organic molecule
Emp. Form.:
C6H10N2O3
Mol. Mass.:
158.1552
SMILES:
O[C@@H]1CN[C@H](C#N)[C@H](O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: