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

General Information of Drug (ID: DR2130)
Drug Name
AK-41099
Synonyms
Trans-3-hydroxy-l-proline; DL-trans-Hydroxyproline; L-Proline, 3-hydroxy-, (3S)-; SCHEMBL114870; trans-3-Hydroxyproline; trans-3-hydroxy-(L)-proline; trans-3-hydroxy-L-proline; trans-3-hydroxy-l -proline; trans-L-3-Hydroxyproline; (+)-cis-(2R,3S)-3-hydroxyproline; (2S,3S)-(-)-3-Hydroxy-L-proline; (2S,3S)-3-Hydroxypyrrolidine-2-carboxylic acid; (2S,3S)-3-hydroxyproline; (3S)-3-hydroxy-L-proline; 4298-06-0; 8ZWY97A2NG; AC1L99JX; AK-41099; CHEBI:16889; CHEMBL1233466; UNII-8ZWY97A2NG; trans-3-Hydroxypyrrolidine-2-carboxylic acid
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 131.13 Topological Polar Surface Area 69.6
Heavy Atom Count 9 Rotatable Bond Count 1
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
440575
ChEBI ID
CHEBI:16889
CAS Number
4298-08-2
Formula
C5H9NO3
Canonical SMILES
C1CNC(C1O)C(=O)O
InChI
1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
InChIKey
BJBUEDPLEOHJGE-IMJSIDKUSA-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
Delta2-Pyrroline-2-carboxylate DM001731 N. A. Unclear 1 [4]
Pyr2C DM001732 N. A. Unclear 2 [1]
L-Proline DM000322
145742
Unclear 3 [1]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003203 AK-41099 Delta2-Pyrroline-2-carboxylate Unclear Unclear [4]
MR003201 Delta2-Pyrroline-2-carboxylate Pyr2C Unclear lhpL [1]
MR003202 Pyr2C L-proline Unclear lhpL [1]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Bifunctional trans-3-hydroxy-L-proline dehydratase/2-epimerase (lhpL) DMEN039 Pseudomonas aeruginosa
T3HPD_PSEAE
2.7.1.35
[2]
Trans-L-3-hydroxyproline dehydratase (L3HYPDH) DME0550 Homo sapiens
T3HPD_HUMAN
4.2.1.77
[3]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Trans-L-3-hydroxyproline dehydratase (L3HYPDH) DME0550 Km = 9.34 microM
T3HPD_HUMAN
[3]
References
1 Structure of Thermococcus litoralis trans-3-hydroxy-l-proline dehydratase in the free and substrate-complexed form. Biochem Biophys Res Commun. 2019 Aug 13;516(1):189-195.
2 Structure of Thermococcus litoralis trans-3-hydroxy-l-proline dehydratase in the free and substrate-complexed form Biochem Biophys Res Commun. 2019 Aug 13;516(1):189-195. doi: 10.1016/j.bbrc.2019.06.021.
3 An enzymatic method to estimate the content of L-hydroxyproline. J Biotechnol. 2015 Apr 10;199:9-16.
4 Characterization of a Novel cis-3-Hydroxy-l-Proline Dehydratase and a trans-3-Hydroxy-l-Proline Dehydratase from Bacteria J Bacteriol. 2017 Jul 25;199(16):e00255-17. doi: 10.1128/JB.00255-17. Print 2017 Aug 15.

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