Reaction Details Report a problem with these data
Target
Beta-mannosidase
Ligand
BDBM36381
Substrate
n/a
Meas. Tech.
Btman2A
pH
5.6±0
Temperature
310.15±0 K
Ki
1.9e+3±n/a 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 
Target
Name:
Beta-mannosidase
Synonyms:
n/a
Type:
Protien
Mol. Mass.:
99501.54
Organism:
Bacteroides thetaiotaomicron
Description:
Q8AAK6
Residue:
864
Sequence:
MILNLTGKIAPIACGLLCCCSMVYAQGNDTSEVMLLDTGWEFSQSGTEKWMPATVPGTVHQDLISHELLPNPFYGMNEKKIQWVENEDWEYRTSFIVSEEQLNRDGIQLIFEGLDTYADVYLNGSLLLKADNMFVGYTLPVKSVLRKGENHLYIYFHSPIRQTLPQYASNGFNYPADNDHHEKHLSVFSRKAPYSYGWDWGIRMVTSGVWRPVTLRFYDIATISDYYVRQLSLTDENARLSNELIVNQIVPQKIPAEVRVNVSLNGTTVTEVKQQVTLQPGINHITLPAEVTNPVRWMPNGWGTPTLYDFSAQIACGDRIVAEQSHRIGLRTIRVVNEKDKDGESFYFEVNGIPMFAKGANYIPQDALLPNVTTERYQTLFRDMKEANMNMVRIWGGGTYENNLFYDLADENGILVWQDFMFACTPYPSDPTFLKRVEAEAVYNIRRLRNHASLAMWCGNNEILEALKYWGFEKKFTPEVYQGLMHGYDKLFRELLPSTVKEFDSDRFYVHSSPYLANWGRPESWGTGDSHNWGVWYGKKPFESLDTDLPRFMSEFGFQSFPEMKTIAAFAAPEDYQIESEVMNAHQKSSIGNSLIRTYMERDYIIPESFEDFVYVGLVLQGQGMRHGLEAHRRNRPYCMGTLYWQLNDSWPVVSWSSIDYYGNWKALHYQAKRAFAPVLINPIQQNDSLSVYLISDRLDTMEQMTLEMKVVDFDGKTLGKKIQVHSLEVPANTSKCVYRAKLDGWLTPEDCRRSFLKLILKDKSGHQVAESVHFFRKTKDLQLPPTSVSYQMKQTDGKCELTLFSSMLAKDIFIETPLQGARYSDNFFDLLPGERKKVIITSPRIKKGEELPVNIKHIRETYK
  
Inhibitor
Name:
BDBM36381
Synonyms:
1-[(4-Aminobutyl)amino]-1,5-anhydro-1-deoxy-1-imino-D-glucitol, 2e | CID11458629
Type:
Small organic molecule
Emp. Form.:
C9H18N2O4
Mol. Mass.:
218.2502
SMILES:
CCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |t:4|
Structure:
Search PDB for entries with ligand similarity: