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13798451

Analogs

34616674
34616675
13738105

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.64	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	13.2	0.61	Binding ≤ 1μM
PNPH_HUMAN	P00491	Purine Nucleoside Phosphorylase, Human	47	0.57	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	13.2	0.61	Binding ≤ 10μM
PNPH_HUMAN	P00491	Purine Nucleoside Phosphorylase, Human	2100	0.44	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)	2.20	5.24	-11.15	4	5	0	88	246.314	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.66	3.07	-52.59	3	5	-1	91	245.306	2	↓ MOL2 SDF SMILES Flexibase

13798454

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.51	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	0.50	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	0.50	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)	2.75	6.16	-11.82	4	5	0	88	314.311	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.21	3.99	-50.71	3	5	-1	91	313.303	3	↓ MOL2 SDF SMILES Flexibase

13798457

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.51	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	0.50	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	0.50	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)	2.75	6.06	-12.49	4	5	0	88	314.311	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.21	3.98	-52.22	3	5	-1	91	313.303	3	↓ MOL2 SDF SMILES Flexibase

13798459

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.51	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	0.50	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	0.50	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)	2.75	6.15	-12.14	4	5	0	88	314.311	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.21	4.03	-51.85	3	5	-1	91	313.303	3	↓ MOL2 SDF SMILES Flexibase

13798462

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.51	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	0.50	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	0.50	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)	2.75	5.81	-12.93	4	5	0	88	314.311	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.21	3.74	-52.62	3	5	-1	91	313.303	3	↓ MOL2 SDF SMILES Flexibase

13798469

Analogs

34616674
34616675
13738105

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	820	0.45	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	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)	2.21	5.61	-11.02	4	5	0	88	260.341	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.66	3.46	-52.53	3	5	-1	91	259.333	2	↓ MOL2 SDF SMILES Flexibase

13798472

Analogs

34616674
34616675
13738105

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	820	0.45	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	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)	2.21	5.84	-11.02	4	5	0	88	260.341	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.66	3.68	-52.39	3	5	-1	91	259.333	2	↓ MOL2 SDF SMILES Flexibase

13798474

Analogs

34616674
34616675
13738105

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	820	0.45	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	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)	2.21	5.74	-11.5	4	5	0	88	260.341	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.66	3.63	-53.1	3	5	-1	91	259.333	2	↓ MOL2 SDF SMILES Flexibase

13798477

Analogs

34616674
34616675
13738105

Draw Identity 99% 90% 80% 70%

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	820	0.45	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	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)	2.21	5.51	-11.32	4	5	0	88	260.341	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.66	3.41	-52.91	3	5	-1	91	259.333	2	↓ MOL2 SDF SMILES Flexibase

13798510

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	885	0.45	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	766	0.45	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	1471	0.43	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)	1.81	3.86	-12.41	6	6	0	114	261.329	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.81	3.66	-53.21	7	6	1	115	262.337	2	↓ MOL2 SDF SMILES Flexibase

ZINC 12

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