| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 3rd, 2006 | 46 | No |
| 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) | 4.99 | 3.5 | -16.81 | 2 | 12 | 0 | 171 | 650.762 | 17 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | CDA_MYROD; CHAC1_HUMAN; CREB3_HUMAN; CREL1_HUMAN; FAK2_HUMAN; FAK2_MOUSE; FAK2_RAT; NFIL3_RAT; NIBAN_MOUSE; TM241_HUMAN; TRIB3_MOUSE; UBXN4_HUMAN | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AT2A1-1-E | Sarcoplasmic/endoplasmic Reticulum Calcium ATP-ase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| AT2A2-1-E | Sarcoplasmic/endoplasmic Reticulum Calcium ATPase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10 | 0.24 | Binding ≤ 10μM |
| Z50425-1-O | Plasmodium Falciparum (cluster #1 Of 22), Other | Other | 3981 | 0.16 | Functional ≤ 10μM |
| Z50591-2-O | Bos Taurus (cluster #2 Of 2), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AT2A1_RABIT | P04191 | Sarcoplasmic/endoplasmic Reticulum Calcium ATP-ase, Rabit | 0.2 | 0.30 | Binding ≤ 1μM |
| AT2A1_HUMAN | O14983 | Sarcoplasmic/endoplasmic Reticulum Calcium ATPase 1, Human | 9.6 | 0.24 | Binding ≤ 1μM |
| AT2A2_HUMAN | P16615 | Sarcoplasmic/endoplasmic Reticulum Calcium ATPase 2, Human | 9.6 | 0.24 | Binding ≤ 1μM |
| AT2A1_RABIT | P04191 | Sarcoplasmic/endoplasmic Reticulum Calcium ATP-ase, Rabit | 0.2 | 0.30 | Binding ≤ 10μM |
| AT2A1_HUMAN | O14983 | Sarcoplasmic/endoplasmic Reticulum Calcium ATPase 1, Human | 9.6 | 0.24 | Binding ≤ 10μM |
| AT2A2_HUMAN | P16615 | Sarcoplasmic/endoplasmic Reticulum Calcium ATPase 2, Human | 9.6 | 0.24 | Binding ≤ 10μM |
| Z50591 | Z50591 | Bos Taurus | 0.17 | 0.30 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 3162.27766 | 0.17 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Ion transport by P-type ATPases | |
| Pre-NOTCH Processing in Golgi | |
| Reduction of cytosolic Ca++ levels |
