UCSF

ZINC27189499

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 34 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) 5.83 12.16 -62.11 0 8 -1 115 498.298 9

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PA24A-2-E Cytosolic Phospholipase A2 (cluster #2 Of 3), Eukaryotic Eukaryotes 40 0.30 Binding ≤ 10μM
PA24B-1-E Phospholipase A2 Group 1VB (cluster #1 Of 2), Eukaryotic Eukaryotes 40 0.30 Binding ≤ 10μM
PA24C-1-E Cytosolic Phospholipase A2 Gamma (cluster #1 Of 2), Eukaryotic Eukaryotes 40 0.30 Binding ≤ 10μM
PA24D-1-E Phospholipase A2 Group 1VD (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.30 Binding ≤ 10μM
PA2G6-1-E Calcium-independent Phospholipase A2 (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.30 Binding ≤ 10μM
Z80156-1-O HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other Other 4700 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PA2G6_HUMAN O60733 Calcium-independent Phospholipase A2, Human 40 0.30 Binding ≤ 1μM
PA24A_HUMAN P47712 Cytosolic Phospholipase A2, Human 40 0.30 Binding ≤ 1μM
PA24C_HUMAN Q9UP65 Cytosolic Phospholipase A2 Gamma, Human 40 0.30 Binding ≤ 1μM
PA24B_HUMAN P0C869 Phospholipase A2 Group 1VB, Human 40 0.30 Binding ≤ 1μM
PA24D_HUMAN Q86XP0 Phospholipase A2 Group 1VD, Human 40 0.30 Binding ≤ 1μM
PA2G6_HUMAN O60733 Calcium-independent Phospholipase A2, Human 40 0.30 Binding ≤ 10μM
PA24A_HUMAN P47712 Cytosolic Phospholipase A2, Human 40 0.30 Binding ≤ 10μM
PA24C_HUMAN Q9UP65 Cytosolic Phospholipase A2 Gamma, Human 40 0.30 Binding ≤ 10μM
PA24B_HUMAN P0C869 Phospholipase A2 Group 1VB, Human 40 0.30 Binding ≤ 10μM
PA24D_HUMAN Q86XP0 Phospholipase A2 Group 1VD, Human 40 0.30 Binding ≤ 10μM
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 4700 0.22 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acyl chain remodeling of CL
Acyl chain remodelling of PC
Acyl chain remodelling of PE
Acyl chain remodelling of PG
Acyl chain remodelling of PI
Acyl chain remodelling of PS
ADP signalling through P2Y purinoceptor 1
Arachidonic acid metabolism
Hydrolysis of LPC
Hydrolysis of LPE
phospho-PLA2 pathway
Platelet sensitization by LDL
Role of phospholipids in phagocytosis
Synthesis of PA
XBP1(S) activates chaperone genes

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