ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	2	0.41	Binding ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	514	0.29	Binding ≤ 10μM
KCNH2-1-E	HERG (cluster #1 Of 5), Eukaryotic	Eukaryotes	4800	0.25	Binding ≤ 10μM
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	8990	0.24	Functional ≤ 10μM
CP2C9-1-E	Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic	Eukaryotes	5	0.39	ADME/T ≤ 10μM
Z50512-1-O	Cavia Porcellus (cluster #1 Of 7), Other	Other	0	0.00	Functional ≤ 10μM
Z50594-1-O	Mus Musculus (cluster #1 Of 9), Other	Other	2	0.41	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	1	0.42	Functional ≤ 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)	5.22	12.29	-7.95	1	5	0	50	463.796	4	↓ MOL2 SDF SMILES Flexibase

17654244

Analogs

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Popular Name: LS-192336 LS-192336

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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

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Popular Name: LS-192336 LS-192336

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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

13675373

Analogs

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Popular Name: Acea Acea

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-3-E	Cannabinoid CB1 Receptor (cluster #3 Of 5), Eukaryotic	Eukaryotes	4	0.47	Binding ≤ 10μM
CNR2-2-E	Cannabinoid CB2 Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	195	0.38	Binding ≤ 10μM
FAAH1-6-E	Anandamide Amidohydrolase (cluster #6 Of 7), Eukaryotic	Eukaryotes	900	0.34	Binding ≤ 10μM
Z50597-6-O	Rattus Norvegicus (cluster #6 Of 12), Other	Other	420	0.36	Functional ≤ 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)	6.88	13.99	-9.23	1	2	0	29	365.989	16	↓ MOL2 SDF SMILES Flexibase

3809850

Analogs

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Popular Name: Anandamide Anandamide

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And 6 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-3-E	Cannabinoid CB1 Receptor (cluster #3 Of 5), Eukaryotic	Eukaryotes	89	0.39	Binding ≤ 10μM
CNR2-2-E	Cannabinoid CB2 Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	78	0.40	Binding ≤ 10μM
FAAH1-6-E	Anandamide Amidohydrolase (cluster #6 Of 7), Eukaryotic	Eukaryotes	3000	0.31	Binding ≤ 10μM
TRPV1-3-E	Vanilloid Receptor (cluster #3 Of 3), Eukaryotic	Eukaryotes	169	0.38	Binding ≤ 10μM
TRPV1-3-E	Vanilloid Receptor (cluster #3 Of 4), Eukaryotic	Eukaryotes	490	0.35	Functional ≤ 10μM
Z50594-4-O	Mus Musculus (cluster #4 Of 9), Other	Other	53	0.41	Functional ≤ 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)	5.65	10.06	-9.33	2	3	0	49	347.543	16	↓ MOL2 SDF SMILES Flexibase

25783468

Analogs

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And 14 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	7	0.36	Binding ≤ 10μM
CNR2-3-E	Cannabinoid CB2 Receptor (cluster #3 Of 3), Eukaryotic	Eukaryotes	8002	0.22	Binding ≤ 10μM
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	1450	0.26	Functional ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.38	Functional ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	7943	0.22	Functional ≤ 10μM
Z50512-1-O	Cavia Porcellus (cluster #1 Of 7), Other	Other	5	0.36	Functional ≤ 10μM
Z50594-1-O	Mus Musculus (cluster #1 Of 9), Other	Other	9000	0.22	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	180	0.30	Functional ≤ 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)	4.72	11.14	-12.66	0	5	0	44	426.516	4	↓ MOL2 SDF SMILES Flexibase

13476371

Analogs

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Popular Name: GP 1A GP 1A

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	363	0.30	Binding ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	0	0.00	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)	4.66	12.51	-10.06	1	5	0	50	441.362	3	↓ MOL2 SDF SMILES Flexibase

13831250

Analogs

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Popular Name: GP2A GP2A

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	900	0.28	Binding ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	8	0.38	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)	6.67	13.27	-9.06	1	4	0	47	440.374	3	↓ MOL2 SDF SMILES Flexibase

1530487

Analogs

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Popular Name: Paraoxon Paraoxon

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACES-5-E	Acetylcholinesterase (cluster #5 Of 12), Eukaryotic	Eukaryotes	13	0.61	Binding ≤ 10μM
CAH1-4-E	Carbonic Anhydrase I (cluster #4 Of 12), Eukaryotic	Eukaryotes	338	0.50	Binding ≤ 10μM
CAH13-7-E	Carbonic Anhydrase XIII (cluster #7 Of 7), Eukaryotic	Eukaryotes	1021	0.47	Binding ≤ 10μM
CAH2-5-E	Carbonic Anhydrase II (cluster #5 Of 15), Eukaryotic	Eukaryotes	59	0.56	Binding ≤ 10μM
CNR1-5-E	Cannabinoid CB1 Receptor (cluster #5 Of 5), Eukaryotic	Eukaryotes	1200	0.46	Binding ≤ 10μM
FAAH1-1-E	Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic	Eukaryotes	5900	0.41	Binding ≤ 10μM
MGLL-3-E	Monoglyceride Lipase (cluster #3 Of 7), Eukaryotic	Eukaryotes	2300	0.44	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)	1.97	7.8	-11.4	0	7	0	91	275.197	7	↓ MOL2 SDF SMILES Flexibase

13766073

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-3-E	Cannabinoid CB1 Receptor (cluster #3 Of 5), Eukaryotic	Eukaryotes	6	0.44	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)	6.82	14.06	-9.34	1	2	0	29	363.561	16	↓ MOL2 SDF SMILES Flexibase

13766076

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-3-E	Cannabinoid CB1 Receptor (cluster #3 Of 5), Eukaryotic	Eukaryotes	6	0.44	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)	6.82	14.05	-9.27	1	2	0	29	363.561	16	↓ MOL2 SDF SMILES Flexibase

4654958

Analogs

8689957

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Popular Name: DEA DEA

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And 1 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-3-E	Cannabinoid CB1 Receptor (cluster #3 Of 5), Eukaryotic	Eukaryotes	34	0.39	Binding ≤ 10μM
CNR2-2-E	Cannabinoid CB2 Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	34	0.39	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)	6.66	11.62	-9.29	2	3	0	49	375.597	18	↓ MOL2 SDF SMILES Flexibase

36294563

Analogs

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Popular Name: IDFP IDFP

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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

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Popular Name: IDFP IDFP

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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

13672828

Analogs

1550857

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And 4 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	1	0.48	Binding ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	2	0.47	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)	5.57	14.63	-48.58	1	3	1	26	459.351	4	↓ MOL2 SDF SMILES Flexibase

13672830

Analogs

1550857

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	1	0.48	Binding ≤ 10μM
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	560	0.34	Binding ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	2	0.47	Binding ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	580	0.34	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)	5.57	14.27	-51.78	1	3	1	26	459.351	4	↓ MOL2 SDF SMILES Flexibase

6273129

Analogs

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Popular Name: JWH 133 JWH 133

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	458	0.39	Binding ≤ 10μM
CNR2-3-E	Cannabinoid CB2 Receptor (cluster #3 Of 3), Eukaryotic	Eukaryotes	65	0.44	Binding ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	146	0.42	Functional ≤ 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)	7.95	3.43	-3.3	0	1	0	9	312.497	3	↓ MOL2 SDF SMILES Flexibase

3816330

Analogs

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Popular Name: NESS0327 NESS0327

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	21	0.34	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)	5.68	-1.9	-7.86	1	5	0	50	489.834	3	↓ MOL2 SDF SMILES Flexibase

33989874

Analogs

36294905
3952700

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Popular Name: SR144528 SR144528

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Tractus
- TRA0036612

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	70	0.29	Binding ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.36	Functional ≤ 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)	7.26	15.52	-8.72	1	4	0	47	476.064	5	↓ MOL2 SDF SMILES Flexibase

36294905

Analogs

33989874
3952700

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Popular Name: SR144528 SR144528

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Vendors

Tractus
- TRA0036612

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	70	0.29	Binding ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.36	Functional ≤ 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)	7.26	15.23	-8.69	1	4	0	47	476.064	5	↓ MOL2 SDF SMILES Flexibase

2037153

Analogs

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Popular Name: DNC014028 DNC014028

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACES-1-E	Acetylcholinesterase (cluster #1 Of 12), Eukaryotic	Eukaryotes	63	0.56	Binding ≤ 10μM
CNR1-5-E	Cannabinoid CB1 Receptor (cluster #5 Of 5), Eukaryotic	Eukaryotes	3	0.66	Binding ≤ 10μM
FAAH1-5-E	Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic	Eukaryotes	460	0.49	Binding ≤ 10μM
MGLL-3-E	Monoglyceride Lipase (cluster #3 Of 7), Eukaryotic	Eukaryotes	10	0.62	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)	3.37	5.43	-8.31	0	5	0	58	334.523	6	↓ MOL2 SDF SMILES Flexibase

44387581

Analogs

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Vendors

Cayman Chemical
- 70660

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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

1530625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Dronabinol Dronabinol

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	41	0.45	Binding ≤ 10μM
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	80	0.43	Binding ≤ 10μM
CNR2-3-E	Cannabinoid CB2 Receptor (cluster #3 Of 3), Eukaryotic	Eukaryotes	6	0.50	Binding ≤ 10μM
CNR2-3-E	Cannabinoid CB2 Receptor (cluster #3 Of 3), Eukaryotic	Eukaryotes	46	0.45	Binding ≤ 10μM
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	11	0.48	Functional ≤ 10μM
TRPA1-3-E	Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #3 Of 6), Eukaryotic	Eukaryotes	230	0.40	Functional ≤ 10μM
Z50594-1-O	Mus Musculus (cluster #1 Of 9), Other	Other	4	0.51	Functional ≤ 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)	6.69	1.18	-5.02	1	2	0	29	314.469	4	↓ MOL2 SDF SMILES Flexibase

2568244

Analogs

6397118
6397119
6397120
39286460

Draw Identity 99% 90% 80% 70%

Popular Name: CP-55940 CP-55940

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	2	0.45	Binding ≤ 10μM
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	2	0.45	Binding ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	2	0.45	Binding ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	3	0.44	Binding ≤ 10μM
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	5	0.43	Functional ≤ 10μM
CNR2-1-E	Cannabinoid CB2 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Functional ≤ 10μM
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	10	0.41	Functional ≤ 10μM
Z50425-11-O	Plasmodium Falciparum (cluster #11 Of 22), Other	Other	2512	0.29	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	100	0.36	Functional ≤ 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)	6.24	6.62	-5.85	3	3	0	61	376.581	10	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = CNR1_MOUSE
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'CNR1\\_MOUSE' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=CNR1_MOUSE&filter.purchasability=purchasable

Embed Link to Results

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