| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 22 | No |
None
| 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) | -2.06 | -3.81 | -150.27 | 3 | 11 | -2 | 177 | 336.193 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | 5NTD_PSEAE; ENPP2_BOVIN; ENPP2_HUMAN; ENPP2_MOUSE; ENPP2_RAT; KTHY_ECOLI; KTHY_MYCTU; KTHY_SHIFL; KTHY_VACCC; KTHY_VACCW; KTHY_VAR67; NDT1_ARATH; NDT2_ARATH; NUDJ_ECOLI; P936_METJA; PIP12_ARATH; PIP13_ARATH; PIP14_ARATH; R15PI_THEKO; TENI_BACSU; THI6_SCHP | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DYR-3-E | Dihydrofolate Reductase (cluster #3 Of 3), Eukaryotic | Eukaryotes | 350 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DYR_HUMAN | P00374 | Dihydrofolate Reductase, Human | 20 | 0.49 | Binding ≤ 1μM |
| DYR_HUMAN | P00374 | Dihydrofolate Reductase, Human | 20 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| E2F mediated regulation of DNA replication | |
| G1/S-Specific Transcription | |
| Metabolism of folate and pterines | |
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation |
