UCSF

ZINC04475083

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 19 No

Popular Name: Bromoenol lactone Bromoenol lactone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 478288-90-3 , 88070-98-8

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) 3.90 10.34 -8.04 0 2 0 26 317.182 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAAH1-4-E Anandamide Amidohydrolase (cluster #4 Of 7), Eukaryotic Eukaryotes 800 0.45 Binding ≤ 10μM
PA2G6-1-E Calcium-independent Phospholipase A2 (cluster #1 Of 1), Eukaryotic Eukaryotes 140 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 800 0.45 Binding ≤ 1μM
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 800 0.45 Binding ≤ 1μM
PA2G6_HUMAN O60733 Calcium-independent Phospholipase A2, Human 140 0.51 Binding ≤ 1μM
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 800 0.45 Binding ≤ 10μM
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 800 0.45 Binding ≤ 10μM
PA2G6_HUMAN O60733 Calcium-independent Phospholipase A2, Human 140 0.51 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acyl chain remodeling of CL
Acyl chain remodelling of PC
Acyl chain remodelling of PE
Role of phospholipids in phagocytosis

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