| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2006 | 26 | No |
Popular Name: BRD-K51321215-001-01-2 BRD-K51321215-001-01-2
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2270-40-8 , 36519-25-2
| 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) | 1.54 | 4.92 | -12.41 | 1 | 7 | 0 | 95 | 366.41 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80021-3-O | A498 (Renal Carcinoma Cells) (cluster #3 Of 5), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z80064-1-O | CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z80099-1-O | COLO 205 (Colon Adenocarcinoma Cells) (cluster #1 Of 3), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z80156-2-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z80186-4-O | K562 (Erythroleukemia Cells) (cluster #4 Of 11), Other | Other | 3 | 0.46 | Functional ≤ 10μM |
| Z80214-2-O | M14 (Melanoma Cells) (cluster #2 Of 3), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z80224-2-O | MCF7 (Breast Carcinoma Cells) (cluster #2 Of 14), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z80285-1-O | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #1 Of 4), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z80438-1-O | RXF 393 (Renal Carcinoma Cells) (cluster #1 Of 1), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z80482-1-O | SK-MEL-2 (Melanoma Cells) (cluster #1 Of 4), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z80570-1-O | UACC-62 (Melanoma Cells) (cluster #1 Of 3), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z80640-1-O | 786-0 (Renal Carcinoma Cells) (cluster #1 Of 1), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z80682-6-O | A549 (Lung Carcinoma Cells) (cluster #6 Of 11), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z80928-1-O | HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z81245-4-O | MDA-MB-435 (Breast Carcinoma Cells) (cluster #4 Of 6), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z81246-1-O | MDA-N (Breast Carcinoma Cells) (cluster #1 Of 2), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z81280-3-O | NCI-H226 (Non-small Cell Lung Carcinoma Cells) (cluster #3 Of 3), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z81283-2-O | NCI-H522 (Non-small Cell Lung Carcinoma Cells) (cluster #2 Of 2), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z81335-2-O | HCT-15 (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80640 | Z80640 | 786-0 (Renal Carcinoma Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z80021 | Z80021 | A498 (Renal Carcinoma Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 1 | 0.48 | Functional ≤ 10μM |
| Z80099 | Z80099 | COLO 205 (Colon Adenocarcinoma Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z81335 | Z81335 | HCT-15 (Colon Adenocarcinoma Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 2.7 | 0.46 | Functional ≤ 10μM |
| Z80214 | Z80214 | M14 (Melanoma Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z81245 | Z81245 | MDA-MB-435 (Breast Carcinoma Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z81246 | Z81246 | MDA-N (Breast Carcinoma Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z80285 | Z80285 | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z81280 | Z81280 | NCI-H226 (Non-small Cell Lung Carcinoma Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z81283 | Z81283 | NCI-H522 (Non-small Cell Lung Carcinoma Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z80438 | Z80438 | RXF 393 (Renal Carcinoma Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z80482 | Z80482 | SK-MEL-2 (Melanoma Cells) | 1 | 0.48 | Functional ≤ 10μM |
| Z80570 | Z80570 | UACC-62 (Melanoma Cells) | 1 | 0.48 | Functional ≤ 10μM |
