ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CP2B6-4-E	Cytochrome P450 2B6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	3800	0.69	ADME/T ≤ 10μM
Z103204-4-O	A427 (cluster #4 Of 4), Other	Other	1580	0.74	Functional ≤ 10μM
Z80008-3-O	5637 (Epithelial Bladder Carcinoma Cells) (cluster #3 Of 3), Other	Other	2000	0.73	Functional ≤ 10μM
Z80112-2-O	DAN-G (cluster #2 Of 2), Other	Other	1660	0.74	Functional ≤ 10μM
Z80224-14-O	MCF7 (Breast Carcinoma Cells) (cluster #14 Of 14), Other	Other	3230	0.70	Functional ≤ 10μM
Z80473-2-O	SISO (cluster #2 Of 2), Other	Other	1400	0.75	Functional ≤ 10μM
Z80604-2-O	YAPC (cluster #2 Of 2), Other	Other	2660	0.71	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)	1.07	2.76	-19.54	0	3	0	9	189.224	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = Z80112-2-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 'Z80112-2-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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    window.zinc.embed('zinc-link', {
        "target.name": "Z80112-2-O",        
        "target.type": "F10"        

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ZINC 12

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Structural Results Found: (before additional filtering)

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