Molecule Details
| InChIKey | ZKHQWZAMYRWXGA-KQYNXXCUSA-N |
|---|---|
| Compound Name | 5'-Atp |
| Canonical SMILES | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.1 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00171 |
|---|---|
| Drug Name | ATP |
| CAS Number | 56-65-5 |
| Groups | investigational nutraceutical |
| ATC Codes | nan |
| Description | An adenine nucleotide containing three phosphate groups esterified to the sugar moiety. In addition to its crucial roles in metabolism adenosine triphosphate is a neurotransmitter. |
Categories: Adenine Nucleotides Adenosine Triphosphate Dietary Supplements Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Purine Nucleotides Purines Ribonucleotides Supplements
Cross-references: BindingDB: 50366480 ChEBI: 15422 CHEMBL14249 ChemSpider: 5742 C00002 D08646 PDB: ATP PharmGKB: PA164743471 PubChem:5957 PubChem:46507614 RxCUI: 318 Therapeutic Targets Database: DNC000262 Wikipedia: Adenosine_triphosphate ZINC: ZINC000004261765
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P56373 | P2RX3 | Homo sapiens | Human | PF00864 | 7.8 | Ki | BindingDB |
| Q9UBL9 | P2RX2 | Homo sapiens | Human | PF00864 | 7.8 | Ki | BindingDB |
| Q15172 | PPP2R5A | Homo sapiens | Human | PF01603 | 7.2 | Kd | BindingDB |
| Q9BW19 | KIFC1 | Homo sapiens | Human | PF00225 | 6.4 | Kd | ChEMBL |
| P0DMV8 | HSPA1A | Homo sapiens | Human | PF00012 | 6.3 | IC50 | BindingDB |
DrugBank Target Actions (43)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P55263 | ADK | Adenosine kinase | substrate | enzymes |
| O14727 | APAF1 | Apoptotic protease-activating factor 1 | binder | targets |
| O15439 | O15439 | ATP-binding cassette sub-family C member 4 | binder | targets |
| O43681 | GET3 | ATPase GET3 | binder | targets |
| O60706 | ABCC9 | ATP-binding cassette sub-family C member 9 | binder | targets |
| O95255 | O95255 | ATP-binding cassette sub-family C member 6 | binder | targets |
| O95342 | ABCB11 | Bile salt export pump | binder | targets |
| O95477 | O95477 | Phospholipid-transporting ATPase ABCA1 | binder | targets |
| P00966 | ASS1 | Argininosuccinate synthase | binder | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | binder | targets |
| P08243 | ASNS | Asparagine synthetase [glutamine-hydrolyzing] | binder | targets |
| P10398 | ARAF | Serine/threonine-protein kinase A-Raf | binder | targets |
| P12235 | P12235 | ADP/ATP translocase 1 | binder | targets |
| P25098 | GRK2 | Beta-adrenergic receptor kinase 1 | binder | targets |
| P31749 | AKT1 | RAC-alpha serine/threonine-protein kinase | binder | targets |
| P33121 | ACSL1 | Long-chain-fatty-acid--CoA ligase 1 | binder | targets |
| P33527 | ABCC1 | Multidrug resistance-associated protein 1 | binder | targets |
| P35626 | GRK3 | G protein-coupled receptor kinase 3 | binder | targets |
| P36896 | ACVR1B | Activin receptor type-1B | binder | targets |
| P37023 | ACVRL1 | Activin receptor type-1-like | binder | targets |
| P42336 | PIK3CA | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | binder | targets |
| P45844 | P45844 | ATP-binding cassette sub-family G member 1 | binder | targets |
| P49902 | P49902 | Cytosolic purine 5'-nucleotidase | binder | targets |
| P53041 | PPP5C | Serine/threonine-protein phosphatase 5 | binder | targets |
| P67870 | CSNK2B | Casein kinase II subunit beta | binder | targets |
| P68400 | CSNK2A1 | Casein kinase II subunit alpha | binder | targets |
| Q04771 | ACVR1 | Activin receptor type-1 | binder | targets |
| Q07912 | TNK2 | Activated CDC42 kinase 1 | binder | targets |
| Q08828 | ADCY1 | Adenylate cyclase type 1 | binder | targets |
| Q09428 | ABCC8 | ATP-binding cassette sub-family C member 8 | binder | targets |
| Q13131 | PRKAA1 | 5'-AMP-activated protein kinase catalytic subunit alpha-1 | binder | targets |
| Q13564 | NAE1 | NEDD8-activating enzyme E1 regulatory subunit | binder | targets |
| Q16671 | Q16671 | Anti-Muellerian hormone type-2 receptor | binder | targets |
| Q92887 | ABCC2 | ATP-binding cassette sub-family C member 2 | binder | targets |
| Q96G91 | P2RY11 | P2Y purinoceptor 11 | binder | targets |
| Q96Q40 | CDK15 | Cyclin-dependent kinase 15 | binder | targets |
| Q9NR19 | Q9NR19 | Acetyl-coenzyme A synthetase, cytoplasmic | binder | targets |
| Q9NUB1 | Q9NUB1 | Acetyl-coenzyme A synthetase 2-like, mitochondrial | binder | targets |
| Q9UM73 | ALK | ALK tyrosine kinase receptor | binder | targets |
| Q9Y4W6 | AFG3L2 | Mitochondrial inner membrane m-AAA protease component AFG3L2 | binder | targets |
| P13569 | CFTR | Cystic fibrosis transmembrane conductance regulator | cofactor | targets |
| P00519 | ABL1 | Tyrosine-protein kinase ABL1 | inhibitor | targets |
| P42684 | ABL2 | Tyrosine-protein kinase ABL2 | inhibitor | targets |