| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 34 | No |
Popular Name: CNDO-103 CNDO-103
Find On: PubMed — Wikipedia — Google
CAS Numbers: 475-56-9 , 66389-74-0
| 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) | 6.68 | -5.48 | -14.86 | 6 | 6 | 0 | 121 | 462.542 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| B2CL1-1-E | Apoptosis Regulator Bcl-X (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3700 | 0.22 | Binding ≤ 10μM |
| MCL1-1-E | Induced Myeloid Leukemia Cell Differentiation Protein Mcl-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2600 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| B2CL1_HUMAN | Q07817 | Apoptosis Regulator Bcl-X, Human | 1700 | 0.24 | Binding ≤ 10μM |
| MCL1_HUMAN | Q07820 | Induced Myeloid Leukemia Cell Differentiation Protein Mcl-1, Human | 2600 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members | |
| The NLRP1 inflammasome |
No pre-computed analogs available. Try a structural similarity search.