UCSF

ZINC01040521

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 24 No

Popular Name: N-(2-chlorobenzoyl)-N'-(1,1-dioxo-1H-1lambda~6~-benzo[b]thiophen-6-yl)urea N-(2-chlorobenzoyl)-N'-(1,1-diox…

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Other Names:

BRD-K86458244-001-01-6

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) 2.41 -5.21 -25.1 2 6 0 92 362.794 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLCG2-2-E Phospholipase C-gamma-2 (cluster #2 Of 2), Eukaryotic Eukaryotes 9500 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLCG2_HUMAN P16885 Phospholipase C-gamma-2, Human 9500 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Antigen activates B Cell Receptor (BCR) leading to generation of second messenge
DAP12 signaling
FCERI mediated Ca+2 mobilization
FCERI mediated MAPK activation
GPVI-mediated activation cascade
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% )

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