UCSF

ZINC12576721

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 18 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.38 4 -7.93 1 3 0 50 273.235 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PIM1-1-E Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic Eukaryotes 330 0.50 Binding ≤ 10μM
PIM2-1-E Serine/threonine-protein Kinase PIM2 (cluster #1 Of 2), Eukaryotic Eukaryotes 80 0.55 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 330 0.50 Binding ≤ 1μM
PIM2_HUMAN Q9P1W9 Serine/threonine-protein Kinase PIM2, Human 80 0.55 Binding ≤ 1μM
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 330 0.50 Binding ≤ 10μM
PIM2_HUMAN Q9P1W9 Serine/threonine-protein Kinase PIM2, Human 80 0.55 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )