In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2010 | 42 | No |
Popular Name: 149091-92-9; Adenophostin A; C13727 149091-92-9; Adenophostin A; C13727
Find On: PubMed — Wikipedia — Google
CAS Number: 149091-92-9
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) | -5.08 | -5.68 | -521.91 | 6 | 23 | -5 | 372 | 664.283 | 11 | ↓ |
Mid Mid (pH 6-8) | -5.08 | -4.53 | -700.59 | 5 | 23 | -6 | 375 | 663.275 | 11 | ↓ |
Lo Low (pH 4.5-6) | -5.08 | -7.86 | -207.87 | 8 | 23 | -3 | 367 | 666.299 | 11 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ITPR1-1-E | Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.30 | Binding ≤ 10μM |
ITPR2-1-E | Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.30 | Binding ≤ 10μM |
ITPR3-1-E | Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.30 | Binding ≤ 10μM |
ITPR1-1-E | Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.29 | Functional ≤ 10μM |
Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 9 | 0.27 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ITPR1_RAT | P29994 | Inositol 1,4,5-trisphosphate Receptor Type 1, Rat | 0.55 | 0.31 | Binding ≤ 1μM |
ITPR2_RAT | P29995 | Inositol 1,4,5-trisphosphate Receptor Type 2, Rat | 0.55 | 0.31 | Binding ≤ 1μM |
ITPR3_RAT | Q63269 | Inositol 1,4,5-trisphosphate Receptor Type 3, Rat | 0.55 | 0.31 | Binding ≤ 1μM |
ITPR1_RAT | P29994 | Inositol 1,4,5-trisphosphate Receptor Type 1, Rat | 0.55 | 0.31 | Binding ≤ 10μM |
ITPR2_RAT | P29995 | Inositol 1,4,5-trisphosphate Receptor Type 2, Rat | 0.55 | 0.31 | Binding ≤ 10μM |
ITPR3_RAT | Q63269 | Inositol 1,4,5-trisphosphate Receptor Type 3, Rat | 0.55 | 0.31 | Binding ≤ 10μM |
ITPR1_RAT | P29994 | Inositol 1,4,5-trisphosphate Receptor Type 1, Rat | 1.5 | 0.29 | Functional ≤ 10μM |
Z50597 | Z50597 | Rattus Norvegicus | 9.2 | 0.27 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.