UCSF

ZINC66123849

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 17 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) 1.54 2.58 -34.72 6 5 1 95 226.263 1
Mid Mid (pH 6-8) 1.54 2.45 -12.06 5 5 0 94 225.255 1
Mid Mid (pH 6-8) 1.54 2.93 -36.43 6 5 1 95 226.263 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDPK1-2-E 3-phosphoinositide Dependent Protein Kinase-1 (cluster #2 Of 2), Eukaryotic Eukaryotes 7280 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDPK1_HUMAN O15530 3-phosphoinositide Dependent Protein Kinase-1, Human 7280 0.42 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of PKB
CD28 dependent PI3K/Akt signaling
Constitutive PI3K/AKT Signaling in Cancer
CTLA4 inhibitory signaling
Downstream TCR signaling
FCERI mediated NF-kB activation
G beta:gamma signalling through PI3Kgamma
GPVI-mediated activation cascade
Integrin alphaIIb beta3 signaling
PIP3 activates AKT signaling
Role of LAT2/NTAL/LAB on calcium mobilization
RSK activation
VEGFR2 mediated cell proliferation
VEGFR2 mediated vascular permeability

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

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