UCSF

ZINC36338501

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 22 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) -4.81 -16.79 -51.6 11 11 1 208 328.294 2
Mid Mid (pH 6-8) -4.81 -17.19 -13.67 10 11 0 206 327.286 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLCB3-1-E Phospholipase C-beta-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.36 Binding ≤ 10μM
PLCG2-1-E Phospholipase C-gamma-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 2000 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLCB3_HUMAN Q01970 Phospholipase C-beta-3, Human 2000 0.36 Binding ≤ 10μM
PLCG2_HUMAN P16885 Phospholipase C-gamma-2, Human 2000 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
Antigen activates B Cell Receptor (BCR) leading to generation of second messenge
Ca2+ pathway
DAP12 signaling
Fatty Acids bound to GPR40 (FFAR1) regulate insulin secretion
FCERI mediated Ca+2 mobilization
FCERI mediated MAPK activation
G alpha (q) signalling events
G beta:gamma signalling through PLC beta
GPVI-mediated activation cascade
PLC beta mediated events
Presynaptic function of Kainate receptors
Role of phospholipids in phagocytosis
Synthesis of IP3 and IP4 in the cytosol
Toll Like Receptor 4 (TLR4) Cascade

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