Detail Information

P450 Protein:

P450 SymbolCYP3A4
Protein NameCytochrome P450 3A4
Uniprot IDP08684
EC Number1.14.14.1
Gene ID 1576
SpeciesHomo sapiens
Txid 9606
P450 Protein Structure
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
Powered by PDBe Molstar & AlphaFold
Subcellular Location
Protein Sequence GO

Reaction Scheme:

Chemical Conversion C14H18N2O2 → C14H18N2O3 + C14H18N2O3
Reaction TypeOxidation
Chemical BondCH;CH3
SolventsWater
Conditions15 min, pH 7.4, 37°C
Transformations1. Hydroxylation at an Aliphatic Carbon

Nefiracetam

CYP3A4

N-[2-(Hydroxymethyl)-6-methylphenyl]-2-oxo-1-pyrrolidineacetamide

+

N-(2,6-Dimethylphenyl)-2-hydroxy-5-oxo-1-pyrrolidineacetamide

Substrate Information:

Substrate Name Nefiracetam
Substrate Chemical FormulaC14H18N2O2
Substrate PubChem CID71157
Substrate SmilesCC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O
Substrate Structure

Product Information:

Product Name N-[2-(Hydroxymethyl)-6-methylphenyl]-2-oxo-1-pyrrolidineacetamide
Product Chemical FormulaC14H18N2O3
Product PubChem CID101928234
Product CAS Number131147-95-0
Product SmilesO=C(NC=1C(=CC=CC1CO)C)CN2C(=O)CCC2
Product Structure
Product Name N-(2,6-Dimethylphenyl)-2-hydroxy-5-oxo-1-pyrrolidineacetamide
Product Chemical FormulaC14H18N2O3
Product PubChem CID3076458
Product CAS Number131147-89-2
Product SmilesCC1=C(C(=CC=C1)C)NC(=O)CN2C(CCC2=O)O
Product Structure

References:

Title: Nefiracetam hydroxylation by rat liver microsomes and expressed human cytochrome P450s.
PMID: 8879146
Journal: Xenobiotica (1996)
Year: 1996/2/14

Contact zhy1001@alu.uestc.edu.cn or yangzhang@cdutcm.edu.cn
© Department of Bioinformatics