In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2010 | 44 | 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) | 5.42 | 8.13 | -13.16 | 6 | 9 | 0 | 157 | 630.904 | 26 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
DUOX2-1-E | Thyroid Oxidase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 22 | 0.24 | Binding ≤ 10μM |
NDUA4-1-E | NADH-ubiquinone Oxidoreductase MLRQ Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 55 | 0.23 | Binding ≤ 10μM |
NDUA6-1-E | NADH-ubiquinone Oxidoreductase B14 Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 55 | 0.23 | Binding ≤ 10μM |
NDUA8-1-E | NADH-ubiquinone Oxidoreductase 19 KDa Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 55 | 0.23 | Binding ≤ 10μM |
NDUAA-1-E | NADH-ubiquinone Oxidoreductase 42 KDa Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 55 | 0.23 | Binding ≤ 10μM |
NDUAB-1-E | NADH-ubiquinone Oxidoreductase Subunit B14.7 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 55 | 0.23 | Binding ≤ 10μM |
NDUB5-1-E | NADH-ubiquinone Oxidoreductase SGDH Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 55 | 0.23 | Binding ≤ 10μM |
NDUB6-1-E | NADH-ubiquinone Oxidoreductase B17 Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 55 | 0.23 | Binding ≤ 10μM |
NDUB7-1-E | NADH-ubiquinone Oxidoreductase B18 Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 55 | 0.23 | Binding ≤ 10μM |
NDUS2-1-E | NADH-ubiquinone Oxidoreductase 49 KDa Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 55 | 0.23 | Binding ≤ 10μM |
NDUS8-1-E | NADH-ubiquinone Oxidoreductase 23 KDa Subunit, (cluster #1 Of 2), Eukaryotic | Eukaryotes | 55 | 0.23 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
NDUA8_HUMAN | P51970 | NADH-ubiquinone Oxidoreductase 19 KDa Subunit, Human | 55.2 | 0.23 | Binding ≤ 1μM |
NDUS8_HUMAN | O00217 | NADH-ubiquinone Oxidoreductase 23 KDa Subunit,, Human | 55.2 | 0.23 | Binding ≤ 1μM |
NDUAA_HUMAN | O95299 | NADH-ubiquinone Oxidoreductase 42 KDa Subunit, Human | 55.2 | 0.23 | Binding ≤ 1μM |
NDUS2_HUMAN | O75306 | NADH-ubiquinone Oxidoreductase 49 KDa Subunit, Human | 55.2 | 0.23 | Binding ≤ 1μM |
NDUA6_HUMAN | P56556 | NADH-ubiquinone Oxidoreductase B14 Subunit, Human | 55.2 | 0.23 | Binding ≤ 1μM |
NDUB6_HUMAN | O95139 | NADH-ubiquinone Oxidoreductase B17 Subunit, Human | 55.2 | 0.23 | Binding ≤ 1μM |
NDUB7_HUMAN | P17568 | NADH-ubiquinone Oxidoreductase B18 Subunit, Human | 55.2 | 0.23 | Binding ≤ 1μM |
NDUA4_HUMAN | O00483 | NADH-ubiquinone Oxidoreductase MLRQ Subunit, Human | 55.2 | 0.23 | Binding ≤ 1μM |
NDUB5_HUMAN | O43674 | NADH-ubiquinone Oxidoreductase SGDH Subunit, Human | 55.2 | 0.23 | Binding ≤ 1μM |
NDUAB_HUMAN | Q86Y39 | NADH-ubiquinone Oxidoreductase Subunit B14.7, Human | 55.2 | 0.23 | Binding ≤ 1μM |
DUOX2_HUMAN | Q9NRD8 | Thyroid Oxidase 2, Human | 21.8 | 0.24 | Binding ≤ 1μM |
NDUA8_HUMAN | P51970 | NADH-ubiquinone Oxidoreductase 19 KDa Subunit, Human | 55.2 | 0.23 | Binding ≤ 10μM |
NDUS8_HUMAN | O00217 | NADH-ubiquinone Oxidoreductase 23 KDa Subunit,, Human | 55.2 | 0.23 | Binding ≤ 10μM |
NDUAA_HUMAN | O95299 | NADH-ubiquinone Oxidoreductase 42 KDa Subunit, Human | 55.2 | 0.23 | Binding ≤ 10μM |
NDUS2_HUMAN | O75306 | NADH-ubiquinone Oxidoreductase 49 KDa Subunit, Human | 55.2 | 0.23 | Binding ≤ 10μM |
NDUA6_HUMAN | P56556 | NADH-ubiquinone Oxidoreductase B14 Subunit, Human | 55.2 | 0.23 | Binding ≤ 10μM |
NDUB6_HUMAN | O95139 | NADH-ubiquinone Oxidoreductase B17 Subunit, Human | 55.2 | 0.23 | Binding ≤ 10μM |
NDUB7_HUMAN | P17568 | NADH-ubiquinone Oxidoreductase B18 Subunit, Human | 55.2 | 0.23 | Binding ≤ 10μM |
NDUA4_HUMAN | O00483 | NADH-ubiquinone Oxidoreductase MLRQ Subunit, Human | 55.2 | 0.23 | Binding ≤ 10μM |
NDUB5_HUMAN | O43674 | NADH-ubiquinone Oxidoreductase SGDH Subunit, Human | 55.2 | 0.23 | Binding ≤ 10μM |
NDUAB_HUMAN | Q86Y39 | NADH-ubiquinone Oxidoreductase Subunit B14.7, Human | 55.2 | 0.23 | Binding ≤ 10μM |
DUOX2_HUMAN | Q9NRD8 | Thyroid Oxidase 2, Human | 21.8 | 0.24 | Binding ≤ 10μM |
Description | Species |
---|---|
Respiratory electron transport |