UCSF

ZINC14210723

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 46 No

CAS Number: 869748-10-7

Other Names:

DNC006013

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) 2.97 14.33 -58.12 4 12 1 138 622.754 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HCK-1-E Tyrosine-protein Kinase HCK (cluster #1 Of 1), Eukaryotic Eukaryotes 1220 0.18 Binding ≤ 10μM
LCK-1-E Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic Eukaryotes 147 0.21 Binding ≤ 10μM
LYN-1-E Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic Eukaryotes 1180 0.18 Binding ≤ 10μM
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 9050 0.15 Binding ≤ 10μM
LCK-2-E Tyrosine-protein Kinase LCK (cluster #2 Of 2), Eukaryotic Eukaryotes 78 0.22 Functional ≤ 10μM
Z50594-1-O Mus Musculus (cluster #1 Of 9), Other Other 78 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LCK_HUMAN P06239 Tyrosine-protein Kinase LCK, Human 147 0.21 Binding ≤ 1μM
HCK_HUMAN P08631 Tyrosine-protein Kinase HCK, Human 1220 0.18 Binding ≤ 10μM
LCK_HUMAN P06239 Tyrosine-protein Kinase LCK, Human 147 0.21 Binding ≤ 10μM
LYN_HUMAN P07948 Tyrosine-protein Kinase Lyn, Human 1180 0.18 Binding ≤ 10μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 9050 0.15 Binding ≤ 10μM
Z50594 Z50594 Mus Musculus 78 0.22 Functional ≤ 10μM
LCK_MOUSE P06240 Tyrosine-protein Kinase LCK, Mouse 78 0.22 Functional ≤ 10μM
LCK_HUMAN P06239 Tyrosine-protein Kinase LCK, Human 80 0.22 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Antigen activates B Cell Receptor (BCR) leading to generation of second messenge
CD28 co-stimulation
CD28 dependent PI3K/Akt signaling
CD28 dependent Vav1 pathway
Cell surface interactions at the vascular wall
Constitutive PI3K/AKT Signaling in Cancer
CTLA4 inhibitory signaling
DAP12 signaling
Downstream TCR signaling
EPH-ephrin mediated repulsion of cells
EPH-Ephrin signaling
EPHA-mediated growth cone collapse
EPHB-mediated forward signaling
Fc epsilon receptor (FCERI) signaling
FCERI mediated Ca+2 mobilization
FCERI mediated MAPK activation
FCERI mediated NF-kB activation
FCGR activation
Generation of second messenger molecules
GPVI-mediated activation cascade
Growth hormone receptor signaling
Interleukin-2 signaling
Nef and signal transduction
Nef Mediated CD4 Down-regulation
PD-1 signaling
PECAM1 interactions
Phosphorylation of CD3 and TCR zeta chains
PIP3 activates AKT signaling
Platelet Adhesion to exposed collagen
Regulation of KIT signaling
Regulation of signaling by CBL
Role of LAT2/NTAL/LAB on calcium mobilization
Signaling by ERBB2
Signaling by SCF-KIT
Translocation of ZAP-70 to Immunological synapse

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

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