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UCSF
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Analogs

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Popular Name: 3-[[(1R)-1-phenylethyl]amino]-4-[[2-(pyrimidin-2-ylamino)-4-pyridyl]amino]cyclobut-3-ene-1,2-dione 3-[[(1R)-1-phenylethyl]amino]-4-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MAPK2-1-E MAP Kinase-activated Protein Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2300 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MAPK2_HUMAN P49137 MAP Kinase-activated Protein Kinase 2, Human 2300 0.27 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) 1.27 8.38 -16.78 2 8 0 112 386.415 5 ↓
Hi High (pH 8-9.5) 1.27 7.91 -13.81 1 8 0 111 385.407 5 ↓
Hi High (pH 8-9.5) 1.27 8.02 -12.75 1 8 0 111 385.407 5 ↓