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	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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Vendors

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

1533713

Analogs

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Vendors

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.38	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	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)	3.80	1.37	-104.59	0	9	-2	121	427.468	9	↓ MOL2 SDF SMILES Flexibase

13298436

Analogs

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Popular Name: Irbesartan Irbesartan

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Vendors

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

3783066

Analogs

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Popular Name: PD123319 PD123319

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And 7 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.30	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	97	0.26	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	97	0.26	Binding ≤ 10μM
Q2XUH7-1-E	Angiotensin Type II Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	34	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)	2.68	18.82	-70.42	0	7	-1	82	507.614	7	↓ 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

1889710

Analogs

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Vendors

AKOS (make-on-demand)
- AKOS000278498

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	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

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

3778636

Analogs

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Vendors

Sigma Aldrich (Building Blocks)
- P5749|SIGMA

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	66	0.28	Binding ≤ 10μM
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	66	0.28	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	66	0.28	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	66	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)	2.06	15.66	-69.48	2	7	-1	104	479.56	6	↓ MOL2 SDF SMILES Flexibase

1552042

Analogs

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Popular Name: E-3179 E-3179

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	20	0.36	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	20	0.36	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	20	0.36	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)	5.32	2.66	-42.82	0	7	-1	87	419.896	8	↓ MOL2 SDF SMILES Flexibase

13900167

Analogs

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Popular Name: Forasartan Forasartan

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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

1539347

Analogs

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Popular Name: sartan sartan

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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

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Popular Name: Tasosartan Tasosartan

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Vendors

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	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

1552601

Analogs

12503190
29319828

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Vendors

APIChem
- AC-7590
ChemMol
- 30112845
- 44027877

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	5	0.40	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	5	0.40	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	5	0.40	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)	4.34	12.07	-108.21	1	6	-1	99	409.487	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.33	0.54	-105.97	1	6	-1	95	409.487	9	↓ MOL2 SDF SMILES Flexibase

13831927

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR2-1-E	Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	391	0.37	Binding ≤ 10μM
AGTRA-1-E	Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	391	0.37	Binding ≤ 10μM
AGTRB-1-E	Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	391	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)	3.25	9.77	-112.71	0	6	-2	98	326.352	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.25	10.21	-109.38	1	6	-1	99	327.36	8	↓ MOL2 SDF SMILES Flexibase

29319828

Analogs

1552601
12503190

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Popular Name: Eprosartan Eprosartan

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Vendors

And 25 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	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

29396939

Analogs

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Popular Name: EMD66684 EMD66684

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Vendors

Active BioPharma
- 2219
Tractus
- TRA0035698

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	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

14952767

Analogs

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Popular Name: E-3174 E-3174

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
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

Parameters Provided:

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

Permalink

//zinc12.docking.org/results/combination?target.name=AGTRA-1-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results

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    window.zinc.embed('zinc-link', {
        "target.name": "AGTRA-1-E",        
        "target.type": "B10"        

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