UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(5-amino-2-methoxy-phenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione 4-(5-amino-2-methoxy-phenyl)-9-h…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 110 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 109.64782 0.35 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 109.64782 0.35 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) 2.59 1.49 -14.62 5 7 0 121 373.368 2 ↓

Analogs

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Popular Name: 4-(2-chlorophenyl)-9-hydroxy-6-pentyl-pyrrolo[3,4-c]carbazole-1,3-dione 4-(2-chlorophenyl)-9-hydroxy-6-p…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 170 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 169.824365 0.31 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 169.824365 0.31 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) 6.17 9.45 -13.27 2 5 0 75 432.907 5 ↓

Analogs

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Popular Name: 4-(4-chlorophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione 4-(4-chlorophenyl)-9-hydroxy-6H-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 730 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 724.43596 0.33 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 724.43596 0.33 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) 4.21 4.73 -12.44 3 5 0 86 362.772 1 ↓

Analogs

36161216
36161216

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Popular Name: 9-hydroxy-4-[2-[(R)-methylsulfinyl]phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione 9-hydroxy-4-[2-[(R)-methylsulfin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 220 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 218.776162 0.33 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 218.776162 0.33 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) 2.32 2.8 -21.68 3 6 0 103 390.42 2 ↓

Analogs

36161212
36161212

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Popular Name: 9-hydroxy-4-[2-[(S)-methylsulfinyl]phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione 9-hydroxy-4-[2-[(S)-methylsulfin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 220 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 218.776162 0.33 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 218.776162 0.33 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) 2.32 2.67 -21.62 3 6 0 103 390.42 2 ↓

Analogs

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Popular Name: 4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione 4-(2-ethylphenyl)-9-hydroxy-6H-p…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 513 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 510 0.33 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 510 0.33 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) 4.40 5.3 -12.05 3 5 0 86 356.381 2 ↓

Analogs

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Popular Name: 4-(4-acetylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione 4-(4-acetylphenyl)-9-hydroxy-6H-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3631 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 3600 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) 3.43 4.69 -19 3 6 0 103 370.364 2 ↓

Analogs

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Popular Name: 9-hydroxy-4-(2-methylsulfanylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione 9-hydroxy-4-(2-methylsulfanylphe…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 33 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 33 0.39 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 33 0.39 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) 3.92 5.06 -13.85 3 5 0 86 374.421 2 ↓

Analogs

35212846
35212846

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Popular Name: 4-(2-chlorophenyl)-9-hydroxy-6-isopentyl-pyrrolo[3,4-c]carbazole-1,3-dione 4-(2-chlorophenyl)-9-hydroxy-6-i…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 151 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 150 0.31 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 150 0.31 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) 5.88 9.17 -13.09 2 5 0 75 432.907 4 ↓

Analogs

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Popular Name: 4-(3-acetylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione 4-(3-acetylphenyl)-9-hydroxy-6H-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4365 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 4300 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) 3.41 4.69 -15.34 3 6 0 103 370.364 2 ↓

Analogs

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Popular Name: 4-(2-chlorophenyl)-9-hydroxy-6-isopropyl-pyrrolo[3,4-c]carbazole-1,3-dione 4-(2-chlorophenyl)-9-hydroxy-6-i…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 53 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 52.480746 0.35 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 52.480746 0.35 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) 4.97 7.38 -13.19 2 5 0 75 404.853 2 ↓

Analogs

36471346
36471346
6475935
6475935

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Popular Name: 4-[3-(aminomethyl)phenyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione 4-[3-(aminomethyl)phenyl]-9-hydr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4467 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 4400 0.28 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) 2.69 2.25 -59.18 6 6 1 114 358.377 2 ↓
Hi High (pH 8-9.5) 3.15 -0.27 -88.83 5 6 0 117 357.369 2 ↓

Analogs

36161257
36161257
34804091
34804091

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Popular Name: 4-(2,5-dimethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione 4-(2,5-dimethylphenyl)-9-hydroxy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 960 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 954.992586 0.31 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 954.992586 0.31 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) 4.36 5.32 -12.06 3 5 0 86 356.381 1 ↓

Analogs

36161253
36161253

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Popular Name: 4-(2,6-dimethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione 4-(2,6-dimethylphenyl)-9-hydroxy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 76 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 75 0.37 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 75 0.37 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) 4.33 5.36 -12.25 3 5 0 86 356.381 1 ↓

Analogs

34804145
34804145

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Popular Name: 9-hydroxy-4-(3-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione 9-hydroxy-4-(3-nitrophenyl)-6H-p…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 302 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 300 0.33 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 300 0.33 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) 3.47 4.91 -14.17 3 8 0 132 373.324 2 ↓

Analogs

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Popular Name: 4-(2,5-dichlorophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione 4-(2,5-dichlorophenyl)-9-hydroxy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 490 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 489.778819 0.33 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 489.778819 0.33 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) 4.82 5.11 -12.22 3 5 0 86 397.217 1 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-3-(9-hydroxy-1,3-dioxo-4-phenyl-pyrrolo[3,4-c]carbazol-6-yl)propanamide N-(2-dimethylaminoethyl)-3-(9-hy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CHK1-1-E Serine/threonine-protein Kinase Chk1 (cluster #1 Of 2), Eukaryotic Eukaryotes 27 0.30 Binding ≤ 10μM
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 170 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CHK1_HUMAN O14757 Serine/threonine-protein Kinase Chk1, Human 27 0.30 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 170 0.27 Binding ≤ 1μM
CHK1_HUMAN O14757 Serine/threonine-protein Kinase Chk1, Human 27 0.30 Binding ≤ 10μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 170 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) 3.01 7.15 -54.82 4 8 1 109 471.537 7 ↓

Parameters Provided:

ring.id = 78797
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 78797 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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