ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANM1-1-E	Protein-arginine N-methyltransferase 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1000	0.31	Binding ≤ 10μM
SETD7-1-E	Histone-lysine N-methyltransferase SETD7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2500	0.29	Binding ≤ 10μM
Z50459-2-O	Leishmania Donovani (cluster #2 Of 8), Other	Other	1000	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)	-3.89	-14.07	-114.46	10	12	1	214	382.401	7	↓ MOL2 SDF SMILES Flexibase

1656284

Analogs

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Vendors

Aldrich CPR
- S718114|ALDRICH
- S688614|ALDRICH

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANM1-2-E	Protein-arginine N-methyltransferase 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1500	0.33	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)	2.35	4.32	-25.48	2	6	0	92	401.271	6	↓ MOL2 SDF SMILES Flexibase

9678795

Analogs

6316383

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Popular Name:

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Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANM1-2-E	Protein-arginine N-methyltransferase 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	5000	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)	4.25	5.77	-43.25	1	6	-1	94	449.961	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.25	5.73	-14.69	2	6	0	92	450.969	8	↓ MOL2 SDF SMILES Flexibase

1576968

Analogs

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Vendors

And 22 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANM1-2-E	Protein-arginine N-methyltransferase 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1200	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)	-1.14	-18.15	-97.26	4	11	-2	195	502.482	4	↓ MOL2 SDF SMILES Flexibase

1666223

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANM1-2-E	Protein-arginine N-methyltransferase 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1700	0.29	Binding ≤ 10μM
Q5VLE3-1-F	RmtA (cluster #1 Of 2), Fungal	Fungi	8300	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)	-0.10	-1.44	-41.85	3	10	-1	164	401.38	5	↓ MOL2 SDF SMILES Flexibase

29056295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: eosin YS dye eosin YS dye

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Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANM1-1-E	Protein-arginine N-methyltransferase 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1400	0.28	Binding ≤ 10μM
S22A6-3-E	Solute Carrier Family 22 Member 6 (cluster #3 Of 3), Eukaryotic	Eukaryotes	90	0.34	Binding ≤ 10μM
S22AK-2-E	Solute Carrier Family 22 Member 20 (cluster #2 Of 2), Eukaryotic	Eukaryotes	4400	0.26	Binding ≤ 10μM
Q5VLE3-2-F	RmtA (cluster #2 Of 2), Fungal	Fungi	180	0.33	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)	7.13	10.39	-94.2	0	5	-2	93	645.879	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	7.13	10.41	-51.76	1	5	-1	91	646.887	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = ANM1_HUMAN
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'ANM1\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=ANM1_HUMAN&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', {
        "annotation.name": "ANM1_HUMAN"        

    });
</script>