UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2539817
2539817
27518486
27518486
155525
155525

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Popular Name: 4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-propyl-; 6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-10,11-diol; 6-propylnorapomorphine; C19H21NO2; LS-175927; N-n-propylnorapomorphine; N-propylnorapomorphine; n-propylapomorphine; pr 4H-Dibenzo(de,g)quinoline-10,11-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 670 0.39 Binding ≤ 10μM
TY3H-1-E Tyrosine 3-hydroxylase (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.38 Binding ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 370 0.41 Functional ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 370 0.41 Functional ≤ 10μM
DRD4-1-E Dopamine D4 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 370 0.41 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 370 0.41 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 38 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 7.09 -42.58 3 3 1 45 296.39 2 ↓
Mid Mid (pH 6-8) 3.77 4.89 -7.61 2 3 0 44 295.382 2 ↓

Analogs

391106
391106

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Popular Name: 3-IODO-L-TYROSINE 3-IODO-L-TYROSINE

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And 35 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TY3H-1-E Tyrosine 3-hydroxylase (cluster #1 Of 1), Eukaryotic Eukaryotes 720 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.44 2.31 -38.11 4 4 0 88 307.087 3 ↓
Hi High (pH 8-9.5) -0.44 3.07 -60.28 3 4 -1 91 306.079 3 ↓

Parameters Provided:

annotation.name = TY3H_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 'TY3H\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=TY3H_HUMAN&filter.purchasability=purchasable

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