UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4173567
4173567
4173568
4173568
38734073
38734073
537875
537875

Draw Identity 99% 90% 80% 70%

Popular Name: Ivabradine hydrochloride Ivabradine hydrochloride

Find On: PubMed — Wikipedia — Google

Vendors

And 21 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HCN1-1-E Potassium/sodium Hyperpolarization-activated Cyclic Nucleotide-gated Channel 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4500 0.22 Binding ≤ 10μM
HCN2-1-E Potassium/sodium Hyperpolarization-activated Cyclic Nucleotide-gated Channel 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 4520 0.22 Binding ≤ 10μM
HCN4-1-E Potassium/sodium Hyperpolarization-activated Cyclic Nucleotide-gated Channel 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 4280 0.22 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) 2.59 11.76 -56.09 1 7 1 62 469.602 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ZATEBRADINE HYDROCHLORIDE ZATEBRADINE HYDROCHLORIDE

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HCN2-1-E Potassium/sodium Hyperpolarization-activated Cyclic Nucleotide-gated Channel 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5450 0.22 Binding ≤ 10μM
HCN4-1-E Potassium/sodium Hyperpolarization-activated Cyclic Nucleotide-gated Channel 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 8570 0.21 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) 2.83 11.36 -53.7 1 7 1 62 457.591 11 ↓

Parameters Provided:

annotation.name = HCN4_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 'HCN4\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=HCN4_HUMAN&filter.purchasability=purchasable

Embed Link to Results