Reaction Details Report a problem with these data
Target
Beta-mannosidase
Ligand
BDBM50065259
Substrate
n/a
Meas. Tech.
Btman2A
pH
5.6±0
Temperature
310.15±0 K
Ki
33000000±0.0 nM
Citation
Tailford, LE; Offen, WA; Smith, NL; Dumon, C; Morland, C; Gratien, J; Heck, MP; Stick, RV; Blériot, Y; Vasella, A; Gilbert, HJ; Davies, GJ Structural and biochemical evidence for a boat-like transition state in beta-mannosidases. Nat Chem Biol 4:306-12 (2008) [PubMed] Article
More Info.:
Target
Name:
Beta-mannosidase
Synonyms:
n/a
Type:
Protien
Mol. Mass.:
99501.54
Organism:
Bacteroides thetaiotaomicron
Description:
Q8AAK6
Residue:
864
Sequence:
MILNLTGKIAPIACGLLCCCSMVYAQGNDTSEVMLLDTGWEFSQSGTEKWMPATVPGTVHQDLISHELLPNPFYGMNEKKIQWVENEDWEYRTSFIVSEEQLNRDGIQLIFEGLDTYADVYLNGSLLLKADNMFVGYTLPVKSVLRKGENHLYIYFHSPIRQTLPQYASNGFNYPADNDHHEKHLSVFSRKAPYSYGWDWGIRMVTSGVWRPVTLRFYDIATISDYYVRQLSLTDENARLSNELIVNQIVPQKIPAEVRVNVSLNGTTVTEVKQQVTLQPGINHITLPAEVTNPVRWMPNGWGTPTLYDFSAQIACGDRIVAEQSHRIGLRTIRVVNEKDKDGESFYFEVNGIPMFAKGANYIPQDALLPNVTTERYQTLFRDMKEANMNMVRIWGGGTYENNLFYDLADENGILVWQDFMFACTPYPSDPTFLKRVEAEAVYNIRRLRNHASLAMWCGNNEILEALKYWGFEKKFTPEVYQGLMHGYDKLFRELLPSTVKEFDSDRFYVHSSPYLANWGRPESWGTGDSHNWGVWYGKKPFESLDTDLPRFMSEFGFQSFPEMKTIAAFAAPEDYQIESEVMNAHQKSSIGNSLIRTYMERDYIIPESFEDFVYVGLVLQGQGMRHGLEAHRRNRPYCMGTLYWQLNDSWPVVSWSSIDYYGNWKALHYQAKRAFAPVLINPIQQNDSLSVYLISDRLDTMEQMTLEMKVVDFDGKTLGKKIQVHSLEVPANTSKCVYRAKLDGWLTPEDCRRSFLKLILKDKSGHQVAESVHFFRKTKDLQLPPTSVSYQMKQTDGKCELTLFSSMLAKDIFIETPLQGARYSDNFFDLLPGERKKVIITSPRIKKGEELPVNIKHIRETYK
Inhibitor
Name:
BDBM50065259
Synonyms:
(2R,3R,4R,5R)-2-(Hydroxymethyl)piperidine-3,4,5-triol, 11 | (2R,3R,4R,5R)-2-(hydroxymethyl)piperidine-3,4,5-triol | (2R,3R,4R,5R)-2-Hydroxymethyl-piperidine-3,4,5-triol | 1-DEOXYMANNOJIRIMYCIN | 2-HYDROXYMETHYL-PIPERIDINE-3,4,5-TRIOL | CHEMBL84844 | deoxymannojirimycin
Type:
Small organic molecule
Emp. Form.:
C6H13NO4
Mol. Mass.:
163.1717
SMILES:
OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O |r|