| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 30 | Yes |
Popular Name: (2S)-2-[[4-(diisopropylcarbamoyl)-2-isopropoxy-benzoyl]amino]-4-methyl-pentanoic (2S)-2-[[4-(diisopropylcarbamoyl…
| 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) | 2.15 | 10.41 | -66.35 | 1 | 7 | -1 | 99 | 419.542 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| B2CL1-1-E | Apoptosis Regulator Bcl-X (cluster #1 Of 2), Eukaryotic | Eukaryotes | 839 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| B2CL1_HUMAN | Q07817 | Apoptosis Regulator Bcl-X, Human | 839 | 0.28 | Binding ≤ 1μM |
| B2CL1_HUMAN | Q07817 | Apoptosis Regulator Bcl-X, Human | 839 | 0.28 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members | |
| The NLRP1 inflammasome |
