UCSF

ZINC02007259

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 24 Yes

CAS Number: 227449-73-2

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) 1.20 -4.7 -57.89 7 7 1 120 341.317 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 5100 0.31 Binding ≤ 10μM
KSYK-1-E Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic Eukaryotes 41 0.43 Binding ≤ 10μM
SYK-1-E Lysyl-tRNA Synthetase (cluster #1 Of 1), Eukaryotic Eukaryotes 41 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SYK_HUMAN Q15046 Lysyl-tRNA Synthetase, Human 41 0.43 Binding ≤ 1μM
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 41 0.43 Binding ≤ 1μM
SYK_HUMAN Q15046 Lysyl-tRNA Synthetase, Human 41 0.43 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 5100 0.31 Binding ≤ 10μM
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 41 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Antigen activates B Cell Receptor (BCR) leading to generation of second messenge
Cytosolic tRNA aminoacylation
DAG and IP3 signaling
DAP12 signaling
Effects of PIP2 hydrolysis
Fc epsilon receptor (FCERI) signaling
FCERI mediated Ca+2 mobilization
FCERI mediated MAPK activation
FCGR activation
G alpha (z) signalling events
GPVI-mediated activation cascade
Integrin alphaIIb beta3 signaling
Interleukin-2 signaling
Mitochondrial tRNA aminoacylation
Regulation of actin dynamics for phagocytic cup formation
Regulation of signaling by CBL
Role of LAT2/NTAL/LAB on calcium mobilization
Role of phospholipids in phagocytosis

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

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