UCSF

ZINC00098409

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4-(o-toluidino)quinoline-3-carboxylic-acid-ethyl-ester 4-(o-toluidino)quinoline-3-carbo…

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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) 4.75 1.62 -7.54 1 4 0 51 306.365 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ATP4A-1-E Potassium-transporting ATPase Alpha Chain 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.38 Binding ≤ 10μM
ATP4B-1-E Potassium-transporting ATPase Beta Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ATP4A_PIG P19156 Potassium-transporting ATPase Alpha Chain 1, Pig 600 0.38 Binding ≤ 1μM
ATP4B_PIG P18434 Potassium-transporting ATPase Beta Chain, Pig 600 0.38 Binding ≤ 1μM
ATP4A_PIG P19156 Potassium-transporting ATPase Alpha Chain 1, Pig 600 0.38 Binding ≤ 10μM
ATP4B_PIG P18434 Potassium-transporting ATPase Beta Chain, Pig 600 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ion transport by P-type ATPases

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