ZINC 12

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Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

66122828

Zinc Item 66122828

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]isoindol (3S)-3-(4-chlorophenyl)-2-[(4-ch…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2-1-E	P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2300	0.25	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2_HUMAN	Q00987	P53-binding Protein Mdm-2, Human	2300	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)	5.35	13.48	-8.23	1	4	0	50	468.38	7	↓ MOL2 SDF SMILES Flexibase

66122829

Zinc Item 66122829

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]isoindol (3R)-3-(4-chlorophenyl)-2-[(4-ch…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2-1-E	P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2300	0.25	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2_HUMAN	Q00987	P53-binding Protein Mdm-2, Human	2300	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)	5.35	13.67	-8.56	1	4	0	50	468.38	7	↓ MOL2 SDF SMILES Flexibase

66122831

Zinc Item 66122831

Analogs

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Popular Name: (3S)-2-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]isoindoli (3S)-2-[(4-bromophenyl)methyl]-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2-1-E	P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1200	0.26	Binding ≤ 10μM
Z104305-1-O	Tumour Suppressor P53/oncoprotein Mdm2 (cluster #1 Of 1), Other	Other	1200	0.26	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2_HUMAN	Q00987	P53-binding Protein Mdm-2, Human	1200	0.26	Binding ≤ 10μM
Z104305	Z104305	Tumour Suppressor P53/oncoprotein Mdm2	1200	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)	5.49	13.58	-8.11	1	4	0	50	512.831	7	↓ MOL2 SDF SMILES Flexibase

66122833

Zinc Item 66122833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-2-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]isoindoli (3R)-2-[(4-bromophenyl)methyl]-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2-1-E	P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1200	0.26	Binding ≤ 10μM
Z104305-1-O	Tumour Suppressor P53/oncoprotein Mdm2 (cluster #1 Of 1), Other	Other	1200	0.26	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2_HUMAN	Q00987	P53-binding Protein Mdm-2, Human	1200	0.26	Binding ≤ 10μM
Z104305	Z104305	Tumour Suppressor P53/oncoprotein Mdm2	1200	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)	5.49	13.78	-8.52	1	4	0	50	512.831	7	↓ MOL2 SDF SMILES Flexibase

66122835

Zinc Item 66122835

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-(p-tolylmethyl)isoindolin-1-one (3R)-3-(4-chlorophenyl)-3-[[1-(h…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2-1-E	P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2300	0.25	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2_HUMAN	Q00987	P53-binding Protein Mdm-2, Human	2300	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)	5.12	12.96	-9.84	1	4	0	50	447.962	7	↓ MOL2 SDF SMILES Flexibase

66122837

Zinc Item 66122837

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-(p-tolylmethyl)isoindolin-1-one (3S)-3-(4-chlorophenyl)-3-[[1-(h…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2-1-E	P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2300	0.25	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2_HUMAN	Q00987	P53-binding Protein Mdm-2, Human	2300	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)	5.12	13.58	-9.24	1	4	0	50	447.962	7	↓ MOL2 SDF SMILES Flexibase

66122967

Zinc Item 66122967

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[[4-(trifluoromethylsulfonyl)phe (3S)-3-(4-chlorophenyl)-3-[[1-(h…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	7.09	10.84	-11.09	1	6	0	84	565.997	9	↓ MOL2 SDF SMILES Flexibase

66122969

Zinc Item 66122969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[[4-(trifluoromethylsulfonyl)phe (3R)-3-(4-chlorophenyl)-3-[[1-(h…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	7.09	11.28	-11.48	1	6	0	84	565.997	9	↓ MOL2 SDF SMILES Flexibase

66165924

Zinc Item 66165924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-iodophenyl)methyl]isoindolin (3S)-3-(4-chlorophenyl)-3-[[1-(h…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2-1-E	P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1500	0.25	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2_HUMAN	Q00987	P53-binding Protein Mdm-2, Human	1500	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)	5.76	14.05	-7.99	1	4	0	50	559.831	7	↓ MOL2 SDF SMILES Flexibase

66165926

Zinc Item 66165926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-iodophenyl)methyl]isoindolin (3R)-3-(4-chlorophenyl)-3-[[1-(h…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2-1-E	P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1500	0.25	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
MDM2_HUMAN	Q00987	P53-binding Protein Mdm-2, Human	1500	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)	5.76	14.25	-8.32	1	4	0	50	559.831	7	↓ MOL2 SDF SMILES Flexibase

66166722

Zinc Item 66166722

Analogs

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Popular Name: 4-[[(1S)-1-(4-chlorophenyl)-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxo-isoindolin-2-yl]methyl]b 4-[[(1S)-1-(4-chlorophenyl)-1-[[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.59	13.51	-54.61	1	6	-1	90	476.936	8	↓ MOL2 SDF SMILES Flexibase

66166724

Zinc Item 66166724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-(4-chlorophenyl)-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxo-isoindolin-2-yl]methyl]b 4-[[(1R)-1-(4-chlorophenyl)-1-[[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.59	13.72	-58.95	1	6	-1	90	476.936	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 471292
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 471292 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=471292&filter.purchasability=annotated

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', {
        "ring.id": "471292"        

    });
</script>