In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2008 | 23 | No |
Popular Name: [(2R,3S,4R,5S)-3,4-dihydroxy-5-(6-hydroxypurin-9-yl)tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4-dihydroxy-5-(…
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) | -2.49 | -3.3 | -157.28 | 3 | 12 | -2 | 186 | 346.192 | 4 | ↓ |
Mid Mid (pH 6-8) | -2.49 | -4.5 | -70.26 | 4 | 12 | -1 | 183 | 347.2 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
IMDH1-1-E | Inosine-5'-monophosphate Dehydrogenase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 250 | 0.40 | Binding ≤ 10μM |
IMDH2-1-E | Inosine-5'-monophosphate Dehydrogenase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 250 | 0.40 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
IMDH1_HUMAN | P20839 | Inosine-5'-monophosphate Dehydrogenase 1, Human | 250 | 0.40 | Binding ≤ 1μM |
IMDH2_HUMAN | P12268 | Inosine-5'-monophosphate Dehydrogenase 2, Human | 250 | 0.40 | Binding ≤ 1μM |
IMDH1_HUMAN | P20839 | Inosine-5'-monophosphate Dehydrogenase 1, Human | 250 | 0.40 | Binding ≤ 10μM |
IMDH2_HUMAN | P12268 | Inosine-5'-monophosphate Dehydrogenase 2, Human | 250 | 0.40 | Binding ≤ 10μM |
Description | Species |
---|---|
Purine ribonucleoside monophosphate biosynthesis |