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Target
Beta-mannosidase
Ligand
BDBM36375
Substrate
BDBM36394
Meas. Tech.
Btman2A
pH
5.6±0
Temperature
310.15±0 K
Ki
72±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 
Target
Name:
Beta-mannosidase
Synonyms:
n/a
Type:
Protien
Mol. Mass.:
99501.54
Organism:
Bacteroides thetaiotaomicron
Description:
Q8AAK6
Residue:
864
Sequence:
MILNLTGKIAPIACGLLCCCSMVYAQGNDTSEVMLLDTGWEFSQSGTEKWMPATVPGTVHQDLISHELLPNPFYGMNEKKIQWVENEDWEYRTSFIVSEEQLNRDGIQLIFEGLDTYADVYLNGSLLLKADNMFVGYTLPVKSVLRKGENHLYIYFHSPIRQTLPQYASNGFNYPADNDHHEKHLSVFSRKAPYSYGWDWGIRMVTSGVWRPVTLRFYDIATISDYYVRQLSLTDENARLSNELIVNQIVPQKIPAEVRVNVSLNGTTVTEVKQQVTLQPGINHITLPAEVTNPVRWMPNGWGTPTLYDFSAQIACGDRIVAEQSHRIGLRTIRVVNEKDKDGESFYFEVNGIPMFAKGANYIPQDALLPNVTTERYQTLFRDMKEANMNMVRIWGGGTYENNLFYDLADENGILVWQDFMFACTPYPSDPTFLKRVEAEAVYNIRRLRNHASLAMWCGNNEILEALKYWGFEKKFTPEVYQGLMHGYDKLFRELLPSTVKEFDSDRFYVHSSPYLANWGRPESWGTGDSHNWGVWYGKKPFESLDTDLPRFMSEFGFQSFPEMKTIAAFAAPEDYQIESEVMNAHQKSSIGNSLIRTYMERDYIIPESFEDFVYVGLVLQGQGMRHGLEAHRRNRPYCMGTLYWQLNDSWPVVSWSSIDYYGNWKALHYQAKRAFAPVLINPIQQNDSLSVYLISDRLDTMEQMTLEMKVVDFDGKTLGKKIQVHSLEVPANTSKCVYRAKLDGWLTPEDCRRSFLKLILKDKSGHQVAESVHFFRKTKDLQLPPTSVSYQMKQTDGKCELTLFSSMLAKDIFIETPLQGARYSDNFFDLLPGERKKVIITSPRIKKGEELPVNIKHIRETYK
  
Inhibitor
Name:
BDBM36375
Synonyms:
(5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)-2-(phenylaminomethyl)-imidazo[1,2-a]pyridine-6,7,8-triol, 1c | CID1131277
Type:
Small organic molecule
Emp. Form.:
C15H19N3O4
Mol. Mass.:
305.3291
SMILES:
OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(CNc3ccccc3)cn12
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM36394
Synonyms:
2,4-dinitrophenyl-b-D-mannopyranoside, 17 | CID24752825
Type:
Substrate
Emp. Form.:
C12H14N2O10
Mol. Mass.:
346.247
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Structure:
Search PDB for entries with ligand similarity: