| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 37 | No |
Popular Name: E-921 E-921
| 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) | 2.62 | 2.55 | -42.69 | 1 | 4 | 1 | 38 | 495.687 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR2-1-E | C-C Chemokine Receptor Type 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 28 | 0.29 | Binding ≤ 10μM |
| CCR5-1-E | C-C Chemokine Receptor Type 5 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2 | 0.33 | Binding ≤ 10μM |
| CCR2-1-E | C-C Chemokine Receptor Type 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 27 | 0.29 | Functional ≤ 10μM |
| CCR5-1-E | C-C Chemokine Receptor Type 5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.34 | Functional ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 77 | 0.27 | Functional ≤ 10μM |
| Z80088-1-O | CHO (Ovarian Cells) (cluster #1 Of 4), Other | Other | 1 | 0.34 | Functional ≤ 10μM |
| Z80107-2-O | COS-7 (Kidney Cells) (cluster #2 Of 2), Other | Other | 1 | 0.34 | Functional ≤ 10μM |
| Z80285-2-O | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #2 Of 4), Other | Other | 1 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR2_HUMAN | P41597 | C-C Chemokine Receptor Type 2, Human | 0.1 | 0.38 | Binding ≤ 1μM |
| CCR5_HUMAN | P51681 | C-C Chemokine Receptor Type 5, Human | 1.4 | 0.34 | Binding ≤ 1μM |
| CCR2_HUMAN | P41597 | C-C Chemokine Receptor Type 2, Human | 0.1 | 0.38 | Binding ≤ 10μM |
| CCR5_HUMAN | P51681 | C-C Chemokine Receptor Type 5, Human | 1.4 | 0.34 | Binding ≤ 10μM |
| CCR2_HUMAN | P41597 | C-C Chemokine Receptor Type 2, Human | 27 | 0.29 | Functional ≤ 10μM |
| CCR5_HUMAN | P51681 | C-C Chemokine Receptor Type 5, Human | 1.2 | 0.34 | Functional ≤ 10μM |
| Z80088 | Z80088 | CHO (Ovarian Cells) | 1.4 | 0.34 | Functional ≤ 10μM |
| Z80107 | Z80107 | COS-7 (Kidney Cells) | 1.4 | 0.34 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 14 | 0.30 | Functional ≤ 10μM |
| Z80285 | Z80285 | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) | 1.4 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Beta defensins | |
| Binding and entry of HIV virion | |
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
