| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2008 | 31 | No |
Popular Name: adenosine 5'-[gamma-thio]triphosphate adenosine 5'-[gamma-thio]triphos…
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CAS Number: 93839-89-5
93839-89-5; ATPgammaS; Adenosine- 5'- O- (3- thiotriphosphate)
CHEBI:34527; CHEBI:40663; CHEBI:40964; CHEBI:22243; CHEBI:2476
| 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) | -1.75 | -2.04 | -153.5 | 6 | 17 | -2 | 268 | 521.234 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -2.92 | -1.22 | -126.98 | 6 | 17 | -1 | 266 | 522.242 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -2.92 | -5.6 | -128.24 | 6 | 17 | -1 | 266 | 522.242 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | P2RY2_HUMAN; P2RY2_MOUSE; P2RY2_RAT; P2RY6_MOUSE; P2RY6_RAT; RECA_ECOLI | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX1-1-E | P2X Purinoceptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2300 | 0.25 | Functional ≤ 10μM |
| P2RX2-1-E | P2X Purinoceptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1500 | 0.26 | Functional ≤ 10μM |
| P2RX3-1-E | P2X Purinoceptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 690 | 0.28 | Functional ≤ 10μM |
| P2RX4-1-E | P2X Purinoceptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2300 | 0.25 | Functional ≤ 10μM |
| P2RX5-1-E | P2X Purinoceptor 5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 600 | 0.28 | Functional ≤ 10μM |
| P2RX6-1-E | P2X Purinoceptor 6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1300 | 0.27 | Functional ≤ 10μM |
| P2RY1-1-E | P2Y Purinoceptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1300 | 0.27 | Functional ≤ 10μM |
| P2RY2-1-E | Purinergic Receptor P2Y2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1720 | 0.26 | Functional ≤ 10μM |
| P2Y11-1-E | Purinergic Receptor P2Y11 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3000 | 0.25 | Functional ≤ 10μM |
| P2Y12-1-E | Purinergic Receptor P2Y12 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1300 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX1_HUMAN | P51575 | P2X Purinoceptor 1, Human | 2300 | 0.25 | Functional ≤ 10μM |
| P2RX2_RAT | P49653 | P2X Purinoceptor 2, Rat | 1500 | 0.26 | Functional ≤ 10μM |
| P2RX3_HUMAN | P56373 | P2X Purinoceptor 3, Human | 690 | 0.28 | Functional ≤ 10μM |
| P2RX4_RAT | P51577 | P2X Purinoceptor 4, Rat | 2300 | 0.25 | Functional ≤ 10μM |
| P2RX5_RAT | P51578 | P2X Purinoceptor 5, Rat | 600 | 0.28 | Functional ≤ 10μM |
| P2RX6_RAT | P51579 | P2X Purinoceptor 6, Rat | 1300 | 0.27 | Functional ≤ 10μM |
| P2RY1_HUMAN | P47900 | Purinergic Receptor P2Y1, Human | 1300 | 0.27 | Functional ≤ 10μM |
| P2Y11_HUMAN | Q96G91 | Purinergic Receptor P2Y11, Human | 3000 | 0.25 | Functional ≤ 10μM |
| P2Y12_RAT | Q9EPX4 | Purinergic Receptor P2Y12, Rat | 1300 | 0.27 | Functional ≤ 10μM |
| P2RY2_HUMAN | P41231 | Purinergic Receptor P2Y2, Human | 1720 | 0.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ADP signalling through P2Y purinoceptor 1 | |
| ADP signalling through P2Y purinoceptor 12 | |
| Elevation of cytosolic Ca2+ levels | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| P2Y receptors | |
| Platelet homeostasis |
