UCSF

ZINC34986697

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 Yes

Popular Name: (2S,3R)-N,N-diisopropyl-3-phenyl-4-[[(1S)-1-phenylethyl]carbamoylamino]-2-(3-pyridyl)butanamide (2S,3R)-N,N-diisopropyl-3-phenyl…

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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) 4.83 12.36 -12.45 2 6 0 74 486.66 10 ↓
Lo Low (pH 4.5-6) 4.83 12.78 -46.75 3 6 1 76 487.668 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA5-1-E Voltage-gated Potassium Channel Subunit Kv1.5 (cluster #1 Of 3), Eukaryotic Eukaryotes 490 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA5_HUMAN P22460 Voltage-gated Potassium Channel Subunit Kv1.5, Human 490 0.25 Binding ≤ 1μM
KCNA5_HUMAN P22460 Voltage-gated Potassium Channel Subunit Kv1.5, Human 490 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Voltage gated Potassium channels

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