ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

17654244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: LS-192336 LS-192336

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 5), Eukaryotic	Eukaryotes	530	0.35	Binding ≤ 10μM
FAAH1-3-E	Anandamide Amidohydrolase (cluster #3 Of 7), Eukaryotic	Eukaryotes	23	0.43	Binding ≤ 10μM
MGLL-1-E	Monoglyceride Lipase (cluster #1 Of 7), Eukaryotic	Eukaryotes	26	0.42	Binding ≤ 10μM
PA24A-1-E	Cytosolic Phospholipase A2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	640	0.35	Binding ≤ 10μM

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.57	14.77	-7.21	0	2	0	26	370.489	16	↓ MOL2 SDF SMILES Flexibase

17654246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: LS-192336 LS-192336

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 5), Eukaryotic	Eukaryotes	530	0.35	Binding ≤ 10μM
FAAH1-3-E	Anandamide Amidohydrolase (cluster #3 Of 7), Eukaryotic	Eukaryotes	23	0.43	Binding ≤ 10μM
MGLL-1-E	Monoglyceride Lipase (cluster #1 Of 7), Eukaryotic	Eukaryotes	26	0.42	Binding ≤ 10μM
PA24A-1-E	Cytosolic Phospholipase A2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	640	0.35	Binding ≤ 10μM

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.57	14.77	-7.22	0	2	0	26	370.489	16	↓ MOL2 SDF SMILES Flexibase

36294563

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: IDFP IDFP

Find On: PubMed — Wikipedia — Google

Vendors

Cayman Chemical
- 10215

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACES-4-E	Acetylcholinesterase (cluster #4 Of 12), Eukaryotic	Eukaryotes	6300	0.38	Binding ≤ 10μM
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 5), Eukaryotic	Eukaryotes	500	0.46	Binding ≤ 10μM
FAAH1-3-E	Anandamide Amidohydrolase (cluster #3 Of 7), Eukaryotic	Eukaryotes	3	0.63	Binding ≤ 10μM
MGLL-1-E	Monoglyceride Lipase (cluster #1 Of 7), Eukaryotic	Eukaryotes	1	0.66	Binding ≤ 10μM

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.93	11.42	-6.13	0	2	0	26	294.391	13	↓ MOL2 SDF SMILES Flexibase

36294566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: IDFP IDFP

Find On: PubMed — Wikipedia — Google

Vendors

Cayman Chemical
- 10215

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACES-4-E	Acetylcholinesterase (cluster #4 Of 12), Eukaryotic	Eukaryotes	6300	0.38	Binding ≤ 10μM
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 5), Eukaryotic	Eukaryotes	500	0.46	Binding ≤ 10μM
FAAH1-3-E	Anandamide Amidohydrolase (cluster #3 Of 7), Eukaryotic	Eukaryotes	3	0.63	Binding ≤ 10μM
MGLL-1-E	Monoglyceride Lipase (cluster #1 Of 7), Eukaryotic	Eukaryotes	1	0.66	Binding ≤ 10μM

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.93	11.42	-6.16	0	2	0	26	294.391	13	↓ MOL2 SDF SMILES Flexibase

44387581

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Cayman Chemical
- 70660

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 5), Eukaryotic	Eukaryotes	20	0.43	Binding ≤ 10μM
FAAH1-3-E	Anandamide Amidohydrolase (cluster #3 Of 7), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
MGLL-1-E	Monoglyceride Lipase (cluster #1 Of 7), Eukaryotic	Eukaryotes	2	0.49	Binding ≤ 10μM

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.80	15.96	-6.54	0	2	0	26	378.553	20	↓ MOL2 SDF SMILES Flexibase

44387584

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Cayman Chemical
- 70660

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 5), Eukaryotic	Eukaryotes	20	0.43	Binding ≤ 10μM
FAAH1-3-E	Anandamide Amidohydrolase (cluster #3 Of 7), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
MGLL-1-E	Monoglyceride Lipase (cluster #1 Of 7), Eukaryotic	Eukaryotes	2	0.49	Binding ≤ 10μM

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.80	15.96	-6.54	0	2	0	26	378.553	20	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = FAAH1-3-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'FAAH1-3-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=FAAH1-3-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "target.name": "FAAH1-3-E",        
        "target.type": "B10"        

    });
</script>