UCSF

ZINC66166304

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 26 Yes

Popular Name: 5-[6-[(4-aminocyclohexyl)amino]pyrazin-2-yl]benzofuran-2-carboxylic 5-[6-[(4-aminocyclohexyl)amino]p…

Find On: PubMed — Wikipedia — Google

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) 1.79 6.37 -86.48 4 7 0 119 352.394 4 ↓

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 120 0.37 Binding ≤ 10μM
PIM1-1-E Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic Eukaryotes 200 0.36 Binding ≤ 10μM
PIM2-1-E Serine/threonine-protein Kinase PIM2 (cluster #1 Of 2), Eukaryotic Eukaryotes 54 0.39 Binding ≤ 10μM
PIM2-1-E Serine/threonine-protein Kinase PIM2 (cluster #1 Of 2), Eukaryotic Eukaryotes 110 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 120 0.37 Binding ≤ 1μM
PIM2_HUMAN Q9P1W9 Serine/threonine-protein Kinase PIM2, Human 54 0.39 Binding ≤ 1μM
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 120 0.37 Binding ≤ 10μM
PIM2_HUMAN Q9P1W9 Serine/threonine-protein Kinase PIM2, Human 54 0.39 Binding ≤ 10μM

Rings

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

No pre-computed analogs available. Try a structural similarity search.