Detail Information
P450 Protein:
| P450 Symbol | CYP102A1 |
| Protein Name | |
| Uniprot ID | |
| Species | Priestia megaterium |
| Txid | 1348623 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C14H18BrNO → C14H18BrNO |
| Reaction Type | Cyclization |
| Chemical Bond | |
| Conditions | 12 h, pH 7.4, rt |
CYP102A1
Substrate Information:
| Substrate Name | 2-Bromo-2-methyl-N-(phenylmethyl)-N-2-propen-1-ylpropanamide |
| Substrate Chemical Formula | C14H18BrNO |
| Substrate PubChem CID | 71490651 |
| Substrate Smiles | C1C=CC=C(CN(C(=O)C(C)(C)Br)CC=C)C=1 |
| Substrate Structure |
Product Information:
| Product Name | 2-Pyrrolidinone, 4-(bromomethyl)-3,3-dimethyl-1-(phenylmethyl)-, (4S)- |
| Product Chemical Formula | C14H18BrNO |
| Product PubChem CID | 164673513 |
| Product CAS Number | 2899263-68-2 |
| Product Smiles | C1N(CC2C=CC=CC=2)C(=O)C(C)(C)[C@@H]1CBr |
| Product Structure |
References:
| Title: | Compositions, Systems and Methods for Atom Transfer Radical Addition Reaction |
| Patent ID: | WO2023015191 |
| Journal: | World Intellectual Property Organization |
| Year: | 2023/2/9 |