UCSF

ZINC13813297

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 23 Yes

Popular Name: LY2183240 LY2183240

Find On: PubMed — Wikipedia — Google

CAS Number: 874902-19-9

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) 3.08 9.01 -7.88 0 6 0 64 307.357 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAAH1-7-E Anandamide Amidohydrolase (cluster #7 Of 7), Eukaryotic Eukaryotes 2 0.53 Binding ≤ 10μM
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 55 0.44 Binding ≤ 10μM
Z80420-2-O RBL-2H3 (Basophilic Leukemia Cells) (cluster #2 Of 2), Other Other 15 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 12 0.48 Binding ≤ 1μM
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 12 0.48 Binding ≤ 1μM
MGLL_HUMAN Q99685 Monoglyceride Lipase, Human 54.4 0.44 Binding ≤ 1μM
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 12 0.48 Binding ≤ 10μM
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 12 0.48 Binding ≤ 10μM
MGLL_HUMAN Q99685 Monoglyceride Lipase, Human 54.4 0.44 Binding ≤ 10μM
Z80420 Z80420 RBL-2H3 (Basophilic Leukemia Cells) 15 0.48 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acyl chain remodeling of DAG and TAG
Arachidonate production from DAG
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis

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

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