UCSF

ZINC29126007

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 27 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) 1.54 4.21 -68.68 5 6 1 103 362.409 5
Hi High (pH 8-9.5) 1.54 3.83 -14.18 4 6 0 101 361.401 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCC2D-1-E CaM Kinase II Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 450 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCC2D_HUMAN Q13557 CaM Kinase II Delta, Human 450 0.33 Binding ≤ 1μM
KCC2D_HUMAN Q13557 CaM Kinase II Delta, Human 450 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CREB phosphorylation through the activation of CaMKII
CREB phosphorylation through the activation of Ras
HSF1-dependent transactivation
Interferon gamma signaling
Ras activation uopn Ca2+ infux through NMDA receptor
Trafficking of AMPA receptors
Unblocking of NMDA receptor, glutamate binding and activation

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