Reaction Details Report a problem with these data
Target
Beta-mannosidase
Ligand
BDBM36376
Substrate
BDBM36394
Meas. Tech.
Btman2A
pH
5.6±0
Temperature
310.15±0 K
Ki
401±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:
BDBM36376
Synonyms:
(5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)-2-(phenoxymethyl)-imidazo[1,2-a]pyridine-6,7,8-triol, 1d | CID11197529
Type:
Small organic molecule
Emp. Form.:
C15H18N2O5
Mol. Mass.:
306.3138
SMILES:
OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(COc3ccccc3)cn12