ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MP2K1-2-E	Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	72	0.38	Binding ≤ 10μM
MP2K1-2-E	Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	2600	0.30	Binding ≤ 10μM
MP2K2-1-E	Dual Specificity Mitogen-activated Protein Kinase Kinase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	60	0.39	Binding ≤ 10μM
MP2K1-1-E	Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	500	0.34	Functional ≤ 10μM
MP2K2-1-E	Dual Specificity Mitogen-activated Protein Kinase Kinase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	500	0.34	Functional ≤ 10μM
RAF1-1-E	Serine/threonine-protein Kinase RAF (cluster #1 Of 2), Eukaryotic	Eukaryotes	290	0.35	Functional ≤ 10μM
Z50425-2-O	Plasmodium Falciparum (cluster #2 Of 22), Other	Other	3981	0.29	Functional ≤ 10μM
Z50531-1-O	Caenorhabditis Elegans (cluster #1 Of 3), Other	Other	2000	0.31	Functional ≤ 10μM
Z80107-1-O	COS-7 (Kidney Cells) (cluster #1 Of 2), Other	Other	1000	0.32	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)	2.04	4.47	-13.78	8	6	0	152	380.502	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.04	3.6	-6.97	8	6	0	152	380.502	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = Z80107-1-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 'Z80107-1-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z80107-1-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": "Z80107-1-O",        
        "target.type": "F10"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Vendors

Active BioPharma

AK Scientific

Aromalake BB

Capot Chemical

Activity (Go SEA)

Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results