UCSF

ZINC14253183

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 27 No

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) 8.07 14.4 -52.91 1 4 -1 69 382.609 19

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PA2GX-2-E Group X Secretory Phospholipase A2 (cluster #2 Of 2), Eukaryotic Eukaryotes 7300 0.27 Binding ≤ 10μM
Q6UB75-1-E Group VII Phospholipase A2 (cluster #1 Of 2), Eukaryotic Eukaryotes 190 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q6UB75_PIG Q6UB75 Group VII Phospholipase A2, Pig 190 0.35 Binding ≤ 1μM
Q6UB75_PIG Q6UB75 Group VII Phospholipase A2, Pig 190 0.35 Binding ≤ 10μM
PA2GX_HUMAN O15496 Group X Secretory Phospholipase A2, Human 7300 0.27 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
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
Synthesis of PA

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