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Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

2556517

Analogs

2579083
5307246
36519955
36780632

Draw Identity 99% 90% 80% 70%

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Popular Name:

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Vendors

And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-7-O	Human Immunodeficiency Virus 1 (cluster #7 Of 10), Other	Other	5300	0.74	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)	-2.64	-5.23	-46.22	6	5	1	100	146.17	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.64	-5.57	-11.76	5	5	0	98	145.162	3	↓ MOL2 SDF SMILES Flexibase

2556518

Analogs

2579083
5307246
36519955
36780632

Draw Identity 99% 90% 80% 70%

Popular Name:

Find On: PubMed — Wikipedia — Google

Vendors

And 13 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-7-O	Human Immunodeficiency Virus 1 (cluster #7 Of 10), Other	Other	5300	0.74	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)	-2.64	-7.02	-44.59	6	5	1	99	146.17	3	↓ MOL2 SDF SMILES Flexibase

1605642

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-7-O	Human Immunodeficiency Virus 1 (cluster #7 Of 10), Other	Other	5	1.29	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)	-2.54	-7.26	-47.03	6	5	1	99	132.143	3	↓ MOL2 SDF SMILES Flexibase

1605462

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-7-O	Human Immunodeficiency Virus 1 (cluster #7 Of 10), Other	Other	30	1.05	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)	-1.65	-6.66	-46.58	6	5	1	99	146.17	3	↓ MOL2 SDF SMILES Flexibase

2556603

Analogs

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Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-7-O	Human Immunodeficiency Virus 1 (cluster #7 Of 10), Other	Other	30	1.05	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)	-1.65	-6.66	-46.6	6	5	1	99	146.17	3	↓ MOL2 SDF SMILES Flexibase

27308992

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-7-O	Human Immunodeficiency Virus 1 (cluster #7 Of 10), Other	Other	80	0.99	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)	-3.62	-5.77	-50.48	7	6	1	112	147.158	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.62	-6.17	-13.23	6	6	0	110	146.15	3	↓ MOL2 SDF SMILES Flexibase

2561024

Analogs

5196879
5378206
36746236
36746349
36780151

Draw Identity 99% 90% 80% 70%

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-7-O	Human Immunodeficiency Virus 1 (cluster #7 Of 10), Other	Other	6000	0.56	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)	-2.94	-9.39	-49.89	7	7	1	128	189.195	5	↓ MOL2 SDF SMILES Flexibase

8436851

Analogs

38146043
42764477
4102231
6397039

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LASR-1-B	Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial	Bacteria	7	0.54	Functional ≤ 10μM
Q9RMS5-1-B	PhzR (cluster #1 Of 1), Bacterial	Bacteria	22	0.51	Functional ≤ 10μM
Z50594-4-O	Mus Musculus (cluster #4 Of 9), Other	Other	4000	0.36	Functional ≤ 10μM
Z50607-7-O	Human Immunodeficiency Virus 1 (cluster #7 Of 10), Other	Other	10000	0.33	Functional ≤ 10μM
Z80390-3-O	PC-3 (Prostate Carcinoma Cells) (cluster #3 Of 10), Other	Other	5000	0.35	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)	2.16	1.37	-25.1	1	5	0	72	297.395	11	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = Z50607-7-O
target.type = F10
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 'Z50607-7-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z50607-7-O&target.type=F10&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": "Z50607-7-O",        
        "target.type": "F10"        

    });
</script>