ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	28	0.32	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	110	0.30	Binding ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	0	0.00	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)	4.55	10.46	-102.72	0	9	-2	120	438.447	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.55	11.48	-77.52	1	9	-1	121	439.455	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.55	11.56	-45.76	2	9	0	123	440.463	7	↓ MOL2 SDF SMILES Flexibase

13745657

Analogs

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Vendors

Toronto Research Chemicals
- D229960

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	50	0.32	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)	4.71	11.96	-100.25	0	8	-2	111	426.48	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.71	12.36	-71.47	1	8	-1	112	427.488	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.71	12.96	-43.79	2	8	0	114	428.496	8	↓ MOL2 SDF SMILES Flexibase

12466569

Analogs

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Popular Name: Olmesartan Olmesartan

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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
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	8	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
Lo Low (pH 4.5-6)	4.12	9.72	-41.19	3	9	0	134	446.511	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.12	9.62	-36.92	3	9	0	134	446.511	8	↓ MOL2 SDF SMILES Flexibase

13298439

Analogs

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Popular Name: Losartan Losartan

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Vendors

And 47 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	19	0.36	Binding ≤ 10μM
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.38	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.40	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.38	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.38	Binding ≤ 10μM
AGTR1-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	10	0.37	Functional ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	89	0.33	Functional ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	82	0.33	Functional ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.38	Functional ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	3	0.40	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	19	0.36	Functional ≤ 10μM
Z80902-1-O	HASMC (Aortic Smooth Muscle Cells) (cluster #1 Of 2), 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)	4.87	9.35	-51.76	1	7	-1	91	421.912	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.87	9.43	-17.19	2	7	0	93	422.92	8	↓ MOL2 SDF SMILES Flexibase

13760710

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And 5 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	66	0.30	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	66	0.30	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)	4.80	10.03	-43.45	0	9	-1	106	453.482	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.80	11.12	-30.78	2	9	1	109	455.498	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.80	11.03	-48.52	1	9	0	107	454.49	8	↓ MOL2 SDF SMILES Flexibase

13760707

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	440	0.25	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	440	0.25	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)	5.15	8.78	-55.88	0	9	-1	115	469.477	8	↓ MOL2 SDF SMILES Flexibase

13760709

Analogs

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Popular Name: Azilsartan Azilsartan

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Vendors

And 9 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	420	0.26	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	420	0.26	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)	4.89	6.61	-49.43	1	9	-1	126	455.45	7	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	4.43	11.18	-57.05	1	9	-1	126	455.45	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.89	8.63	-105.73	0	9	-2	129	454.442	7	↓ MOL2 SDF SMILES Flexibase

1551889

Analogs

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Vendors

Ambinter
- Amb2681761

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	2300	0.27	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	2300	0.27	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	400	0.31	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)	6.13	1.28	-62.58	0	4	-1	57	383.471	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.73	1.44	-61.56	1	4	0	59	384.479	7	↓ MOL2 SDF SMILES Flexibase

13451137

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	96	0.32	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	96	0.32	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)	5.99	13.65	-47.69	0	6	-1	71	407.501	7	↓ MOL2 SDF SMILES Flexibase

14952767

Analogs

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Popular Name: E-3174 E-3174

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And 2 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.37	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	7	0.37	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.37	Binding ≤ 10μM
AGTR1-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.37	Functional ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.39	Functional ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	37	0.34	Functional ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	26	0.34	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)	5.10	11.47	-95.77	0	8	-2	111	434.887	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.10	11.86	-71.42	1	8	-1	112	435.895	8	↓ MOL2 SDF SMILES Flexibase

3918293

Analogs

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Popular Name: L-162313 L-162313

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Vendors

Sigma Aldrich (Building Blocks)
- L1415|SIGMA

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.32	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.30	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.29	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.29	Binding ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	10000	0.18	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)	6.86	11.89	-20.71	1	8	0	107	582.792	12	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	6.86	12.51	-74.12	0	8	-1	110	581.784	12	↓ MOL2 SDF SMILES Flexibase

1530886

Analogs

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Popular Name: Telmisartan Telmisartan

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And 34 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	0.31	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.31	Binding ≤ 10μM
PPARG-1-E	Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	3400	0.20	Binding ≤ 10μM
PPARG-1-E	Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	4060	0.19	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)	7.60	19.21	-66.32	0	6	-1	76	513.621	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	7.60	19.62	-59.12	1	6	0	77	514.629	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	7.60	19.88	-93.84	2	6	1	78	515.637	7	↓ MOL2 SDF SMILES Flexibase

13897226

Analogs

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Popular Name: Valsartan Valsartan

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And 46 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	4700	0.23	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.37	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.37	Binding ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	1	0.39	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)	3.08	12.6	-119.08	0	8	-2	113	433.512	10	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.08	13.62	-64.47	1	8	-1	115	434.52	10	↓ MOL2 SDF SMILES Flexibase

3831602

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	300	0.29	Binding ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	100	0.31	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)	3.08	13.8	-140.76	0	8	-2	113	433.512	10	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.08	12.2	-53.38	1	8	-1	115	434.52	10	↓ MOL2 SDF SMILES Flexibase

11687040

Analogs

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Vendors

Chembo Pharma
- KB-227067

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	29	0.27	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	480	0.23	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	26	0.27	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)	7.52	15.58	-78.36	2	7	-1	99	523.657	9	↓ MOL2 SDF SMILES Flexibase

13298436

Analogs

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Popular Name: Irbesartan Irbesartan

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And 40 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	21	0.34	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.39	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.39	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.39	Binding ≤ 10μM
AGTR1-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.37	Functional ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.37	Functional ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	4	0.37	Functional ≤ 10μM
Z80902-1-O	HASMC (Aortic Smooth Muscle Cells) (cluster #1 Of 2), Other	Other	320	0.28	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)	5.44	11.96	-56.34	0	7	-1	85	427.532	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.44	11.97	-14.39	1	7	0	87	428.54	7	↓ MOL2 SDF SMILES Flexibase

1889710

Analogs

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Vendors

AKOS (make-on-demand)
- AKOS000278498

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	420	0.26	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	140	0.28	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	140	0.28	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	140	0.28	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)	4.81	1.02	-75.76	1	8	-1	113	482.944	11	↓ MOL2 SDF SMILES Flexibase

29396939

Analogs

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Popular Name: EMD66684 EMD66684

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Vendors

Active BioPharma
- 2219
Tractus
- TRA0035698

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.33	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.33	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.33	Binding ≤ 10μM
AGTR1-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	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)	4.16	13.26	-58.4	0	10	-1	113	509.594	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.16	13.43	-43.11	2	10	1	116	511.61	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.16	13.53	-42.49	2	10	1	116	511.61	9	↓ MOL2 SDF SMILES Flexibase

3783527

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: L-692429 L-692429

Find On: PubMed — Wikipedia — Google

Vendors

American Custom Chemicals Corp.
- NEW0069030

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	3600	0.20	Binding ≤ 10μM
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	63	0.27	Binding ≤ 10μM
GHRHR-1-E	Growth Hormone-releasing Hormone Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	60	0.27	Functional ≤ 10μM
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	60	0.27	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	60	0.27	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)	4.03	-1.3	-83.25	4	9	0	129	509.614	7	↓ MOL2 SDF SMILES Flexibase

13900167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Forasartan Forasartan

Find On: PubMed — Wikipedia — Google

Vendors

Tetrahedron Building Blocks
- TS69765

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	7	0.37	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	7	0.37	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	7	0.37	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	7	0.37	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.38	Functional ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.38	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)	4.53	11.37	-54.09	0	8	-1	96	415.525	10	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.53	11.63	-54.43	1	8	0	98	416.533	10	↓ MOL2 SDF SMILES Flexibase

27079783

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	60	0.31	Binding ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	68	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)	5.15	12.58	-50.24	0	8	-1	99	448.547	11	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.15	12.68	-14.27	1	8	0	101	449.555	11	↓ MOL2 SDF SMILES Flexibase

1539347

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: sartan sartan

Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-308999

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.32	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.32	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.32	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)	6.01	4.03	-56.79	0	9	-1	113	553.668	11	↓ MOL2 SDF SMILES Flexibase

13444037

Analogs

38422268

Draw Identity 99% 90% 80% 70%

Popular Name: Tasosartan Tasosartan

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	38	0.34	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	5	0.37	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	5	0.37	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)	2.48	11.11	-51.78	0	8	-1	99	410.461	4	↓ MOL2 SDF SMILES Flexibase

29319828

Analogs

1552601
12503190

Draw Identity 99% 90% 80% 70%

Popular Name: Eprosartan Eprosartan

Find On: PubMed — Wikipedia — Google

Vendors

And 25 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	7	0.38	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	363	0.30	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.38	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	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)	4.89	13.17	-110.32	1	6	-1	99	423.514	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.89	12.91	-114.55	0	6	-2	98	422.506	10	↓ MOL2 SDF SMILES Flexibase

3784334

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	4	0.36	Binding ≤ 10μM
AGTR1-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	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)	4.49	12.26	-53.49	0	7	-1	86	437.527	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.49	12.64	-41.33	2	7	1	89	439.543	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = AGTR1-1-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 'AGTR1-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

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Embed Link to Results

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "target.name": "AGTR1-1-E",        
        "target.type": "B10"        

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