UCSF

ZINC12341773

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2008 16 No

Popular Name: BRD-K06075029-001-01-6 BRD-K06075029-001-01-6

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) 2.40 -0.72 -6.56 1 3 0 50 233.292 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 600 0.54 Binding ≤ 10μM
PIM2-1-E Serine/threonine-protein Kinase PIM2 (cluster #1 Of 2), Eukaryotic Eukaryotes 300 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 600 0.54 Binding ≤ 1μM
PIM2_HUMAN Q9P1W9 Serine/threonine-protein Kinase PIM2, Human 300 0.57 Binding ≤ 1μM
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 600 0.54 Binding ≤ 10μM
PIM2_HUMAN Q9P1W9 Serine/threonine-protein Kinase PIM2, Human 300 0.57 Binding ≤ 10μM

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