Molecule Details
| InChIKey | CAWZRIXWFRFUQB-IOSLPCCCSA-N |
|---|---|
| Compound Name | alpha,beta-Methylene-ATP |
| Canonical SMILES | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.03 |
| Source | BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02596 |
|---|---|
| Drug Name | alpha,beta-Methyleneadenosine 5'-triphosphate |
| CAS Number | 7292-42-4 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Adenine Nucleotides Antineoplastic Agents Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Purine Nucleotides Purines Ribonucleotides
Cross-references: BindingDB: 50118221 ChEBI: 35056 CHEMBL132722 ChemSpider: 82670 C13740 PDB: APC PubChem:91557 PubChem:46507991 ZINC: ZINC000008295117
Target Activities (2)
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O07732 | O07732 | Bifunctional lipase/adenylate cyclase LipJ | binder | targets |
| O32393 | O32393 | histidine kinase | binder | targets |
| P08164 | P08164 | NH(3)-dependent NAD(+) synthetase | binder | targets |
| P26281 | folK | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase | binder | targets |
| P9WIL5 | panC | Pantothenate synthetase | binder | targets |
| Q94M05 | Q94M05 | NTPase P4 | binder | targets |
| Q96T66 | Q96T66 | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | binder | targets |
| Q9XB61 | Q9XB61 | Carbapenam-3-carboxylate synthase | binder | targets |