ZINC 12

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)	4.03	10.58	-37.6	1	4	1	35	340.472	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.03	8.07	-9.84	0	4	0	34	339.464	4	↓ MOL2 SDF SMILES Flexibase

49051632

Analogs

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- Z-016282

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-1-F	Tyrosinase (cluster #1 Of 8), Fungal	Fungi	1340	0.34	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)	2.97	5.57	-10.68	0	5	0	43	341.436	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.97	8.14	-39.99	1	5	1	45	342.444	4	↓ MOL2 SDF SMILES Flexibase

395525

Analogs

26513874
26514124
34964304

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And 46 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-1-F	Tyrosinase (cluster #1 Of 8), Fungal	Fungi	6470	0.61	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)	2.32	0.93	-42.39	0	3	-1	39	177.208	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.60	1.48	-7.53	1	3	0	42	178.216	1	↓ MOL2 SDF SMILES Flexibase

2379869

Analogs

26513878
34964286

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And 21 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-1-F	Tyrosinase (cluster #1 Of 8), Fungal	Fungi	3670	0.59	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)	1.92	1.39	-39.88	0	3	-1	39	191.235	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.19	2.15	-10.85	1	3	0	42	192.243	2	↓ MOL2 SDF SMILES Flexibase

315972

Analogs

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And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-1-F	Tyrosinase (cluster #1 Of 8), Fungal	Fungi	100	0.47	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)	3.39	4.27	-11.01	3	5	0	78	299.355	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.39	3.69	-38.23	4	5	1	80	300.363	3	↓ MOL2 SDF SMILES Flexibase

295850

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And 20 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-1-F	Tyrosinase (cluster #1 Of 8), Fungal	Fungi	1770	0.62	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)	1.12	-1.36	-8.69	2	4	0	62	194.215	1	↓ MOL2 SDF SMILES Flexibase

6675630

Analogs

26515822
34964276
34964280
34964282
34964288

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And 13 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-1-F	Tyrosinase (cluster #1 Of 8), Fungal	Fungi	4940	0.62	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)	1.12	1.83	-6.74	1	3	0	42	184.264	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.85	1.15	-39.87	0	3	-1	39	183.256	1	↓ MOL2 SDF SMILES Flexibase

17946026

Analogs

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Popular Name: DNC014396 DNC014396

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And 10 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-1-F	Tyrosinase (cluster #1 Of 8), Fungal	Fungi	6760	0.38	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)	3.12	5.59	-42.95	0	3	-1	39	267.333	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.39	5.96	-8.9	1	3	0	42	268.341	3	↓ MOL2 SDF SMILES Flexibase

13532571

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-1-F	Tyrosinase (cluster #1 Of 8), Fungal	Fungi	1900	0.53	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)	0.23	-4.08	-90.31	0	6	-2	78	242.285	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = TYRO-1-F
target.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 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 'TYRO-1-F' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=TYRO-1-F&target.type=B10&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": "TYRO-1-F",        
        "target.type": "B10"        

    });
</script>