| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 23 | No |
Popular Name: 3'-Azido-3'-deoxythymidine 5'-monophosphate sodium salt 3'-Azido-3'-deoxythymidine 5'-mo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 29706-85-2 , [29706-85-2]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.77 | -1.81 | -146.42 | 1 | 12 | -2 | 186 | 345.208 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KTHY-1-E | Thymidylate Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.30 | Binding ≤ 10μM |
| KTHY-1-B | Thymidylate Kinase (cluster #1 Of 1), Bacterial | Bacteria | 10000 | 0.30 | Binding ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 10 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KTHY_HUMAN | P23919 | Thymidylate Kinase, Human | 10000 | 0.30 | Binding ≤ 10μM |
| KTHY_MYCTU | O05891 | Thymidylate Kinase, Myctu | 10000 | 0.30 | Binding ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 10 | 0.49 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis and interconversion of nucleotide di- and triphosphates |
