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

26145105

Analogs

26145112
26146570
26146579
26146588
29570047

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMT1-1-E	Peptide N-myristoyltransferase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	42	0.23	Binding ≤ 10μM
NMT2-1-E	Peptide N-myristoyltransferase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	42	0.23	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
NMT1_HUMAN	P30419	Peptide N-myristoyltransferase 1, Human	42	0.23	Binding ≤ 1μM
NMT2_HUMAN	O60551	Peptide N-myristoyltransferase 2, Human	42	0.23	Binding ≤ 1μM
NMT1_HUMAN	P30419	Peptide N-myristoyltransferase 1, Human	1540	0.18	Binding ≤ 10μM
NMT2_HUMAN	O60551	Peptide N-myristoyltransferase 2, Human	1540	0.18	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	10.07	-91.6	8	10	2	154	626.887	20	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.25	9.63	-62.71	7	10	1	153	625.879	20	↓ MOL2 SDF SMILES Flexibase

26145112

Analogs

26146570
26146579
26146588
29570047
26145105

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMT1-1-E	Peptide N-myristoyltransferase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	42	0.23	Binding ≤ 10μM
NMT2-1-E	Peptide N-myristoyltransferase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	42	0.23	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
NMT1_HUMAN	P30419	Peptide N-myristoyltransferase 1, Human	42	0.23	Binding ≤ 1μM
NMT2_HUMAN	O60551	Peptide N-myristoyltransferase 2, Human	42	0.23	Binding ≤ 1μM
NMT1_HUMAN	P30419	Peptide N-myristoyltransferase 1, Human	1540	0.18	Binding ≤ 10μM
NMT2_HUMAN	O60551	Peptide N-myristoyltransferase 2, Human	1540	0.18	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	10.17	-92.82	8	10	2	154	626.887	20	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.25	9.72	-63.5	7	10	1	153	625.879	20	↓ MOL2 SDF SMILES Flexibase

26146570

Analogs

26146579
26146588
29570047
26145112

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMT1-1-E	Peptide N-myristoyltransferase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	490	0.19	Binding ≤ 10μM
NMT2-1-E	Peptide N-myristoyltransferase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	490	0.19	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
NMT1_HUMAN	P30419	Peptide N-myristoyltransferase 1, Human	130	0.21	Binding ≤ 1μM
NMT2_HUMAN	O60551	Peptide N-myristoyltransferase 2, Human	130	0.21	Binding ≤ 1μM
NMT1_HUMAN	P30419	Peptide N-myristoyltransferase 1, Human	130	0.21	Binding ≤ 10μM
NMT2_HUMAN	O60551	Peptide N-myristoyltransferase 2, Human	130	0.21	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)	3.81	10.93	-87.35	8	10	2	154	640.914	21	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.81	10.46	-59.4	7	10	1	153	639.906	21	↓ MOL2 SDF SMILES Flexibase

26146579

Analogs

26146588
29570047
26145105

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMT1-1-E	Peptide N-myristoyltransferase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	490	0.19	Binding ≤ 10μM
NMT2-1-E	Peptide N-myristoyltransferase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	490	0.19	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
NMT1_HUMAN	P30419	Peptide N-myristoyltransferase 1, Human	130	0.21	Binding ≤ 1μM
NMT2_HUMAN	O60551	Peptide N-myristoyltransferase 2, Human	130	0.21	Binding ≤ 1μM
NMT1_HUMAN	P30419	Peptide N-myristoyltransferase 1, Human	130	0.21	Binding ≤ 10μM
NMT2_HUMAN	O60551	Peptide N-myristoyltransferase 2, Human	130	0.21	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)	3.81	11.02	-87.89	8	10	2	154	640.914	21	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.81	10.53	-59.24	7	10	1	153	639.906	21	↓ MOL2 SDF SMILES Flexibase

26146588

Analogs

29570047
26145112

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMT1-1-E	Peptide N-myristoyltransferase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	310	0.21	Binding ≤ 10μM
NMT1-1-E	Peptide N-myristoyltransferase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8000	0.16	Binding ≤ 10μM
NMT2-1-E	Peptide N-myristoyltransferase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	310	0.21	Binding ≤ 10μM
NMT2-1-E	Peptide N-myristoyltransferase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8000	0.16	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
NMT1_HUMAN	P30419	Peptide N-myristoyltransferase 1, Human	40	0.24	Binding ≤ 1μM
NMT2_HUMAN	O60551	Peptide N-myristoyltransferase 2, Human	40	0.24	Binding ≤ 1μM
NMT1_HUMAN	P30419	Peptide N-myristoyltransferase 1, Human	40	0.24	Binding ≤ 10μM
NMT2_HUMAN	O60551	Peptide N-myristoyltransferase 2, Human	40	0.24	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)	2.91	9.47	-93.26	8	10	2	154	612.86	19	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.91	9.04	-63.66	7	10	1	153	611.852	19	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 148864
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 = 148864 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=148864&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": "148864"        

    });
</script>

ZINC 12

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Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results