Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2222)
Drug Name
W-201259
Synonyms
A-D-Mannopyranosyl-D-mannose; Mannobiose; BDH pure salt; GUBGYTABKSRVRQ-KWCWEWCRSA-N; SCHEMBL162205; beta-1,4-Mannobiose; 14417-51-7; 15548-43-3; 4-O-; 4-O-(b-D-Mannopyranosyl)-D-mannose; 4-O-(beta-D-Mannopyranosyl)-D-mannose; 4-O-beta-D-Mannopyranosyl-D-mannopyranose; C20861; CHEBI:25164; D-Mannopyranose, 4-O-beta-D-mannopyranosyl-; Mannopyranose, 4-O-beta-D-mannopyranosyl-; Mannopyranose, 4-O-beta-D-mannopyranosyl-, D-; O-MBI; beta-D-mannopyranosyl-(1->4)-D-mannopyranose; beta-D-mannopyranosyl-(1->4)-D-mannose
Indication Salmonella infection [ICD11: 1A09] Preclinical [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 342.3 Topological Polar Surface Area 190
Heavy Atom Count 23 Rotatable Bond Count 4
Hydrogen Bond Donor Count 8 Hydrogen Bond Acceptor Count 11
Cross-matching ID
PubChem CID
152109
ChEBI ID
CHEBI:25164
CAS Number
15548-43-3
Formula
C12H22O11
Canonical SMILES
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
InChI
1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11?,12+/m1/s1
InChIKey
GUBGYTABKSRVRQ-KWCWEWCRSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007001 W-201259 Unclear Unclear manB [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta-mannosidase (manB) DME1195 Bacteroides salyersiae
I8XYI3_9BACE
3.2.1.78
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Beta-mannosidase (manB) DME1195 Kcat/Km = 0.0022 s-1microM-1
I8XYI3_9BACE
[2]
References
1 Analysis of gut immune-modulating activity of beta-1,4-mannobiose using microarray and real-time reverse transcription polymerase chain reaction. Poult Sci. 2010 Sep;89(9):1894-904.
2 Structure and function of Bs164 beta-mannosidase from Bacteroides salyersiae the founding member of glycoside hydrolase family GH164. J Biol Chem. 2020 Mar 27;295(13):4316-4326.

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