UCSF

ZINC00257247

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: Pyridin-2-yl-(4-pyridin-2-yl-thiazol-2-yl)-amine Pyridin-2-yl-(4-pyridin-2-yl-thi…

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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) 2.61 -1.04 -10.28 1 4 0 50 254.318 3 ↓
Lo Low (pH 4.5-6) 2.61 -0.91 -33.21 2 4 1 51 255.326 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNN1-1-E Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 43 0.57 Binding ≤ 10μM
KCNN2-1-E Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 543 0.49 Binding ≤ 10μM
KCNN3-1-E Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 543 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNN1_HUMAN Q92952 Small Conductance Calcium-activated Potassium Channel Protein 1, Human 43 0.57 Binding ≤ 1μM
KCNN2_HUMAN Q9H2S1 Small Conductance Calcium-activated Potassium Channel Protein 2, Human 123 0.54 Binding ≤ 1μM
KCNN3_HUMAN Q9UGI6 Small Conductance Calcium-activated Potassium Channel Protein 3, Human 25 0.59 Binding ≤ 1μM
KCNN1_HUMAN Q92952 Small Conductance Calcium-activated Potassium Channel Protein 1, Human 43 0.57 Binding ≤ 10μM
KCNN2_HUMAN Q9H2S1 Small Conductance Calcium-activated Potassium Channel Protein 2, Human 123 0.54 Binding ≤ 10μM
KCNN3_HUMAN Q9UGI6 Small Conductance Calcium-activated Potassium Channel Protein 3, Human 25 0.59 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ca2+ activated K+ channels

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