ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	4	0.53	Binding ≤ 10μM
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	9	0.51	Binding ≤ 10μM
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	9000	0.32	Binding ≤ 10μM
DPP9-1-E	Dipeptidyl Peptidase IX (cluster #1 Of 2), Eukaryotic	Eukaryotes	680	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)	1.42	4.11	-49.86	3	5	1	81	304.414	3	↓ MOL2 SDF SMILES Flexibase

14949358

Analogs

37823165
37823166

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Vendors

Synblock
- MB11294

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	555	0.34	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)	1.75	7.57	-43.01	3	5	1	68	350.442	3	↓ MOL2 SDF SMILES Flexibase

14949370

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1G244 1G244

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Vendors

AK Scientific
- Y0432

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	14	0.30	Binding ≤ 10μM
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	14	0.30	Binding ≤ 10μM
DPP9-1-E	Dipeptidyl Peptidase IX (cluster #1 Of 2), Eukaryotic	Eukaryotes	53	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)	3.75	10.86	-47.58	3	6	1	71	505.589	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.75	10.53	-13.77	2	6	0	70	504.581	6	↓ MOL2 SDF SMILES Flexibase

72105280

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	50	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)	4.08	10.98	-46.66	3	6	1	71	519.616	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.08	10.66	-13.73	2	6	0	70	518.608	6	↓ MOL2 SDF SMILES Flexibase

14948119

Analogs

3931585

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Popular Name: P32/98 P32/98

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Vendors

Tractus
- TRA0022379

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	460	0.68	Binding ≤ 10μM
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	1700	0.62	Binding ≤ 10μM
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	2700	0.60	Binding ≤ 10μM
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	220	0.72	Binding ≤ 10μM
DPP9-1-E	Dipeptidyl Peptidase IX (cluster #1 Of 2), Eukaryotic	Eukaryotes	320	0.70	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)	0.53	2.53	-44.92	3	3	1	48	203.331	3	↓ MOL2 SDF SMILES Flexibase

13588224

Analogs

36721018
37826160
37826189
37826190

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Vendors

Synblock
- MB11305

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	64	0.67	Binding ≤ 10μM
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	125	0.64	Binding ≤ 10μM
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	78	0.66	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)	1.22	4.15	-43.97	3	3	1	48	211.329	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.22	3.85	-5.48	2	3	0	46	210.321	2	↓ MOL2 SDF SMILES Flexibase

13473901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC006055 DNC006055

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Vendors

Synblock
- MB11307

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	1	0.74	Binding ≤ 10μM
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	8	0.67	Binding ≤ 10μM
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	12	0.65	Binding ≤ 10μM
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	27	0.62	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)	0.99	4.47	-52.97	3	4	1	72	236.339	2	↓ MOL2 SDF SMILES Flexibase

14949367

Analogs

37823165
37823166

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Vendors

Synblock
- MB11297

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	150	0.32	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)	1.37	6.77	-48.81	3	7	1	87	410.494	5	↓ MOL2 SDF SMILES Flexibase

14949337

Analogs

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Vendors

Synblock
- MB11304

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	3016	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)	2.21	6.99	-45.49	3	3	1	48	273.4	2	↓ MOL2 SDF SMILES Flexibase

14949353

Analogs

36721018
37005372
37005373
37005401
37005402

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Vendors

Synblock
- MB11302

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP2-2-E	Dipeptidyl Peptidase II (cluster #2 Of 2), Eukaryotic	Eukaryotes	9900	0.44	Binding ≤ 10μM
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	1148	0.52	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)	1.72	4.63	-46.05	3	3	1	48	225.356	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.72	4.35	-5.59	2	3	0	46	224.348	2	↓ MOL2 SDF SMILES Flexibase

7335

Analogs

3203426
35931795

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Vendors

And 15 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	470	0.74	Binding ≤ 10μM
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	5400	0.61	Binding ≤ 10μM
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	5200	0.62	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)	0.05	2.43	-41.47	3	3	1	48	171.264	2	↓ MOL2 SDF SMILES Flexibase

13648755

Analogs

3964523

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Popular Name: Saxagliptin Saxagliptin

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Vendors

And 14 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	3	0.52	Binding ≤ 10μM
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	240	0.40	Binding ≤ 10μM
DPP9-1-E	Dipeptidyl Peptidase IX (cluster #1 Of 2), Eukaryotic	Eukaryotes	71	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)	0.84	2.91	-12.9	3	5	0	90	315.417	2	↓ MOL2 SDF SMILES Flexibase

28826977

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	150	0.56	Binding ≤ 10μM
DPP9-1-E	Dipeptidyl Peptidase IX (cluster #1 Of 2), Eukaryotic	Eukaryotes	290	0.54	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)	1.14	5.07	-46.45	3	3	1	48	233.335	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.14	4.78	-6.12	2	3	0	46	232.327	3	↓ MOL2 SDF SMILES Flexibase

14949355

Analogs

37823101

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Vendors

Synblock
- MB11298

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	24	0.56	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)	1.80	6.24	-46.52	3	3	1	48	259.373	2	↓ MOL2 SDF SMILES Flexibase

35931820

Analogs

37809561
37809562
41679624
41679625
41679722

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	1200	0.64	Binding ≤ 10μM
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	5600	0.57	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)	0.87	3.2	-41.65	3	3	1	48	185.291	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.87	2.86	-7.72	2	3	0	46	184.283	4	↓ MOL2 SDF SMILES Flexibase

11959217

Analogs

11959221
19434530
19434532
36667424
36667425

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	410	0.69	Binding ≤ 10μM
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	3900	0.58	Binding ≤ 10μM
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	550	0.67	Binding ≤ 10μM
DPP9-1-E	Dipeptidyl Peptidase IX (cluster #1 Of 2), Eukaryotic	Eukaryotes	2100	0.61	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)	0.55	2.87	-41.41	3	3	1	48	185.291	3	↓ MOL2 SDF SMILES Flexibase

40394932

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	1320	0.48	Binding ≤ 10μM
DPP9-1-E	Dipeptidyl Peptidase IX (cluster #1 Of 2), Eukaryotic	Eukaryotes	4300	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)	1.14	5.08	-45.44	3	3	1	48	233.335	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.14	4.84	-6.73	2	3	0	46	232.327	3	↓ MOL2 SDF SMILES Flexibase

40423900

Analogs

37805679
37805680
37823089
37823090

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Vendors

Synblock
- MB11290

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP2-2-E	Dipeptidyl Peptidase II (cluster #2 Of 2), Eukaryotic	Eukaryotes	1780	0.45	Binding ≤ 10μM
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	200	0.52	Binding ≤ 10μM
DPP9-1-E	Dipeptidyl Peptidase IX (cluster #1 Of 2), Eukaryotic	Eukaryotes	500	0.49	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)	-0.64	2.73	-110.83	6	4	2	76	249.358	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.64	2.39	-52.3	5	4	1	74	248.35	5	↓ MOL2 SDF SMILES Flexibase

11959221

Analogs

19434530
19434532
37826165
37826166
37826167

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	410	0.69	Binding ≤ 10μM
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	4000	0.58	Binding ≤ 10μM
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	6600	0.56	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)	0.55	2.95	-42.2	3	3	1	48	185.291	3	↓ MOL2 SDF SMILES Flexibase

8076607

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Bachem
- N-1710

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	147	0.35	Binding ≤ 10μM
DPP9-1-E	Dipeptidyl Peptidase IX (cluster #1 Of 2), Eukaryotic	Eukaryotes	168	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)	1.16	-4.15	-55.68	4	9	1	132	379.437	10	↓ MOL2 SDF SMILES Flexibase

26396245

Analogs

13522765

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Popular Name: DNC005423 DNC005423

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP2-2-E	Dipeptidyl Peptidase II (cluster #2 Of 2), Eukaryotic	Eukaryotes	6600	0.33	Binding ≤ 10μM
DPP4-1-E	Dipeptidyl Peptidase IV (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.52	Binding ≤ 10μM
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	4573	0.34	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)	-0.38	4.95	-65.32	3	7	1	109	299.358	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.38	3.53	-18.36	2	7	0	105	298.35	6	↓ MOL2 SDF SMILES Flexibase

3931585

Analogs

14948119
27557503
27557504

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Popular Name: P32/98 P32/98

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP2-2-E	Dipeptidyl Peptidase II (cluster #2 Of 2), Eukaryotic	Eukaryotes	8170	0.55	Binding ≤ 10μM
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	420	0.69	Binding ≤ 10μM
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	1700	0.62	Binding ≤ 10μM
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	2700	0.60	Binding ≤ 10μM
DPP8-1-E	Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	6000	0.56	Binding ≤ 10μM
DPP9-1-E	Dipeptidyl Peptidase IX (cluster #1 Of 2), Eukaryotic	Eukaryotes	6600	0.56	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)	0.53	-3.05	-45.2	3	3	1	47	203.331	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = DPP8_HUMAN
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'DPP8\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=DPP8_HUMAN&filter.purchasability=purchasable

Embed Link to Results

<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', {
        "annotation.name": "DPP8_HUMAN"        

    });
</script>