UCSF

ZINC28950581

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 26 Yes

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) 2.88 5.62 -18.11 5 8 0 122 345.366 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LCK-1-E Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic Eukaryotes 100 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LCK_MOUSE P06240 Tyrosine-protein Kinase LCK, Mouse 100 0.38 Binding ≤ 1μM
LCK_MOUSE P06240 Tyrosine-protein Kinase LCK, Mouse 100 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CD28 co-stimulation
CD28 dependent PI3K/Akt signaling
CD28 dependent Vav1 pathway
Constitutive PI3K/AKT Signaling in Cancer
CTLA4 inhibitory signaling
DAP12 signaling
Downstream TCR signaling
Generation of second messenger molecules
GPVI-mediated activation cascade
Interleukin-2 signaling
PD-1 signaling
Phosphorylation of CD3 and TCR zeta chains
PIP3 activates AKT signaling
Regulation of KIT signaling
Signaling by SCF-KIT
Translocation of ZAP-70 to Immunological synapse

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