ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

44430299

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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	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
WEE1_HUMAN	P30291	Serine/threonine-protein Kinase WEE1, Human	33	0.28	Binding ≤ 1μM
WEE1_HUMAN	P30291	Serine/threonine-protein Kinase WEE1, Human	33	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	9.47	-22.47	2	7	0	97	532.021	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.14	10.21	-49.55	1	7	-1	100	531.013	6	↓ MOL2 SDF SMILES Flexibase

44430300

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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	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
WEE1_HUMAN	P30291	Serine/threonine-protein Kinase WEE1, Human	33	0.28	Binding ≤ 1μM
WEE1_HUMAN	P30291	Serine/threonine-protein Kinase WEE1, Human	33	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	10.93	-31.28	2	7	0	97	532.021	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.14	11.9	-80.97	1	7	-1	100	531.013	6	↓ MOL2 SDF SMILES Flexibase

36161184

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

36161188

Analogs

36161192

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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	10000	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	10000	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.54	2.02	-54.69	5	6	1	103	336.371	1	↓ MOL2 SDF SMILES Flexibase

36161192

Analogs

36161188

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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	10000	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	10000	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.54	2.02	-54.5	5	6	1	103	336.371	1	↓ MOL2 SDF SMILES Flexibase

36161202

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

36161207

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

36161212

Analogs

36161216

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

36161216

Analogs

36161212

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

36161221

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

36161225

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

36161230

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

36161235

Analogs

35212846

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

36161239

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

36161243

Analogs

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

36161249

Analogs

36471346
6475935

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.15	-0.27	-88.83	5	6	0	117	357.369	2	↓ MOL2 SDF SMILES Flexibase

36161253

Analogs

36161257
34804091

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

36161257

Analogs

36161253

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

36161265

Analogs

34804145

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

36161269

Analogs

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

40872373

Analogs

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 8427
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 = 8427 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=8427&filter.purchasability=annotated

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "8427"        

    });
</script>

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Structural Results Found: (before additional filtering)

SQL Query Was

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