| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 51 | No |
Popular Name: KN-62 KN-62
| 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 | -9.06 | -32.14 | 0 | 11 | 0 | 130 | 721.861 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7-1-E | P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 13 | 0.22 | Binding ≤ 10μM |
| P2RX7-1-E | P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 51 | 0.20 | Functional ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 20 | 0.21 | Functional ≤ 10μM |
| Z80548-1-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other | Other | 81 | 0.19 | Functional ≤ 10μM |
| Z81011-1-O | Human Cell Lines (cluster #1 Of 3), Other | Other | 51 | 0.20 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7_HUMAN | Q99572 | P2X Purinoceptor 7, Human | 13.4 | 0.22 | Binding ≤ 1μM |
| P2RX7_HUMAN | Q99572 | P2X Purinoceptor 7, Human | 13.4 | 0.22 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 20 | 0.21 | Functional ≤ 10μM |
| Z81011 | Z81011 | Human Cell Lines | 51 | 0.20 | Functional ≤ 10μM |
| P2RX7_HUMAN | Q99572 | P2X Purinoceptor 7, Human | 110 | 0.19 | Functional ≤ 10μM |
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 188 | 0.18 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| The NLRP3 inflammasome |
