UCSF

ZINC00538544

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 33 Yes

Popular Name: ZATEBRADINE HYDROCHLORIDE ZATEBRADINE HYDROCHLORIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 85175-67-3; 91940-87-3 , 91940-87-3

Download: MOL2 SDF SMILES Flexibase

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 ↓

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
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HCN2_MOUSE O88703 Potassium/sodium Hyperpolarization-activated Cyclic Nucleotide-gated Channel 2, Mouse 5450 0.22 Binding ≤ 10μM
HCN4_HUMAN Q9Y3Q4 Potassium/sodium Hyperpolarization-activated Cyclic Nucleotide-gated Channel 4, Human 8570 0.21 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
HCN channels

Analogs ( Draw Identity 99% 90% 80% 70% )