ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	45	0.47	Binding ≤ 10μM
Z80362-3-O	P388 (Lymphoma Cells) (cluster #3 Of 8), Other	Other	125	0.44	Functional ≤ 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)	2.01	5.53	-51.77	2	5	1	53	295.366	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.01	3.06	-13.85	1	5	0	52	294.358	1	↓ MOL2 SDF SMILES Flexibase

13860431

Analogs

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Vendors

Chembo Pharma
- KB-68822

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-1-E	Poly [ADP-ribose] Polymerase 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	20	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)	-0.88	4.61	-20.59	2	11	0	133	459.532	6	↓ MOL2 SDF SMILES Flexibase

13467799

Analogs

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Popular Name: XAV939 XAV939

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And 11 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-1-E	Poly [ADP-ribose] Polymerase 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	620	0.41	Binding ≤ 10μM
TNKS1-1-E	Tankyrase-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.54	Binding ≤ 10μM
TNKS2-1-E	Tankyrase-2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	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)	3.39	7.59	-10.42	1	3	0	46	312.316	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.85	6.7	-39.29	0	3	-1	49	311.308	2	↓ MOL2 SDF SMILES Flexibase

49069484

Analogs

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Popular Name: N/A N/A

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Vendors

Selleck Chemicals
- S2197

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	4	0.49	Binding ≤ 10μM
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	9	0.47	Binding ≤ 10μM
PARP2-1-E	Poly [ADP-ribose] Polymerase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	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)	2.55	5.17	-52.45	5	5	1	88	325.367	3	↓ MOL2 SDF SMILES Flexibase

49069486

Analogs

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Popular Name: A-966492 A-966492

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	1	0.53	Binding ≤ 10μM
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	4	0.49	Binding ≤ 10μM
PARP2-1-E	Poly [ADP-ribose] Polymerase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.51	Binding ≤ 10μM
PARP2-1-E	Poly [ADP-ribose] Polymerase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	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)	2.55	5.17	-52.77	5	5	1	88	325.367	3	↓ MOL2 SDF SMILES Flexibase

43206370

Analogs

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Popular Name: MK-4827 MK-4827

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And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-1-E	Poly [ADP-ribose] Polymerase 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3	0.50	Binding ≤ 10μM
PARP2-2-E	Poly [ADP-ribose] Polymerase 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	2	0.51	Binding ≤ 10μM
PARP3-1-E	Poly [ADP-ribose] Polymerase 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.34	Binding ≤ 10μM
PARP4-1-E	Poly [ADP-ribose] Polymerase 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	330	0.38	Binding ≤ 10μM
TNKS1-1-E	Tankyrase-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	570	0.36	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)	2.02	6.15	-60.48	4	5	1	78	321.404	3	↓ MOL2 SDF SMILES Flexibase

49087983

Analogs

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Popular Name: MK-4827 MK-4827

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Vendors

Tractus
- TRA0004662

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-1-E	Poly [ADP-ribose] Polymerase 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2	0.51	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)	2.02	6.15	-60.47	4	5	1	78	321.404	3	↓ MOL2 SDF SMILES Flexibase

53297239

Analogs

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Vendors

American Custom Chemicals Corp.
- CHM0292857
Chembo Pharma
- KB-71415

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-1-E	Poly [ADP-ribose] Polymerase 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	10	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)	3.02	9.75	-58.72	4	8	1	94	390.471	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.02	7.54	-14.72	3	8	0	93	389.463	5	↓ MOL2 SDF SMILES Flexibase

39063470

Analogs

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Vendors

Chembo Pharma
- KB-288200
Chemstep
- 29440

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-3-E	Poly [ADP-ribose] Polymerase 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	1000	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)	0.54	0.44	-9.59	2	3	0	56	163.176	2	↓ MOL2 SDF SMILES Flexibase

39063472

Analogs

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Vendors

Chembo Pharma
- KB-288200
Chemstep
- 29440

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-3-E	Poly [ADP-ribose] Polymerase 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	1000	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)	0.54	0.44	-9.62	2	3	0	56	163.176	2	↓ MOL2 SDF SMILES Flexibase

3819851

Analogs

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Vendors

Chembo Pharma
- KB-78015

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	68	0.46	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)	2.98	-0.29	-45.57	3	4	1	57	295.362	3	↓ MOL2 SDF SMILES Flexibase

26507157

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And 16 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	270	0.77	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)	2.26	3.27	-13.46	1	2	0	33	224.057	0	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.52	1.02	-7.07	2	5	0	72	279.336	2	↓ MOL2 SDF SMILES Flexibase

6559

Analogs

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Vendors

Chembo Pharma
- KB-154569
Chemstep
- 10897

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	99	0.75	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)	0.29	-3.35	-12.64	3	4	0	71	175.191	1	↓ MOL2 SDF SMILES Flexibase

18145500

Analogs

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Popular Name: NU 1025 NU 1025

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And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	400	0.69	Binding ≤ 10μM
PARP2-1-E	Poly [ADP-ribose] Polymerase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	400	0.69	Binding ≤ 10μM
Q8CFB8-1-E	ADP-ribosyltransferase (cluster #1 Of 2), Eukaryotic	Eukaryotes	400	0.69	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)	DL
Ref Reference (pH 7)	0.80	0.61	-11.07	2	4	0	66	176.175	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	0.80	0.77	-41.66	1	4	-1	69	175.167	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.80	1.37	-48.29	1	4	-1	69	175.167	↓ MOL2 SDF SMILES Flexibase

3803136

Analogs

34574252
36221924
36221926
36221928

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And 8 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-3-E	Poly [ADP-ribose] Polymerase 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	440	0.74	Binding ≤ 10μM
PARP2-2-E	Poly [ADP-ribose] Polymerase 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	440	0.74	Binding ≤ 10μM
Q8CFB8-2-E	ADP-ribosyltransferase (cluster #2 Of 2), Eukaryotic	Eukaryotes	440	0.74	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)	1.52	-1.29	-9.52	1	2	0	29	161.204	0	↓ MOL2 SDF SMILES Flexibase

26019

Analogs

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Popular Name: NU1085 NU1085

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	6	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)	1.84	1.14	-20.49	4	5	0	92	253.261	2	↓ MOL2 SDF SMILES Flexibase

13834533

Analogs

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Vendors

Chembo Pharma
- KB-261649
Sphinx Make-on-demand
- BIM-27-2882

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	350	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)	1.20	1.23	-11.91	3	4	0	72	229.161	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.20	0.75	-46.32	2	4	-1	70	228.153	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.20	0.78	-46.52	2	4	-1	70	228.153	2	↓ MOL2 SDF SMILES Flexibase

13834534

Analogs

36459273

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-3-E	Poly [ADP-ribose] Polymerase 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	95	0.82	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)	0.20	1.07	-18.7	3	4	0	72	161.164	1	↓ MOL2 SDF SMILES Flexibase

13834539

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	11	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)	1.39	1.85	-20.69	5	5	0	98	252.277	2	↓ MOL2 SDF SMILES Flexibase

8671637

Analogs

39123625

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And 10 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	4100	0.38	Binding ≤ 10μM
PARP2-1-E	Poly [ADP-ribose] Polymerase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1500	0.41	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)	3.32	7.92	-13.07	1	4	0	59	265.268	3	↓ MOL2 SDF SMILES Flexibase

42833153

Analogs

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Vendors

Chembo Pharma
- KB-77900

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	12	0.46	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)	3.15	5.02	-121.59	0	7	-2	93	314.308	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.15	4.25	-13.93	2	7	0	92	316.324	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.15	5.01	-57.46	1	7	-1	95	315.316	2	↓ MOL2 SDF SMILES Flexibase

28467935

Analogs

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Vendors

Chembo Pharma
- KB-73525

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-1-E	Poly [ADP-ribose] Polymerase 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	40	0.33	Binding ≤ 10μM
PARP1-1-E	Poly [ADP-ribose] Polymerase 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	800	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)	2.66	4	-18.17	2	7	0	92	439.537	6	↓ MOL2 SDF SMILES Flexibase

17425942

Analogs

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Vendors

Tractus
- TRA0085335

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	180	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)	1.63	3.55	-12.05	3	3	0	59	210.236	0	↓ MOL2 SDF SMILES Flexibase

17970819

Analogs

34604779

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And 83 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	9500	0.64	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	3.46	-10.77	1	3	0	46	146.149	0	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.44	1.4	-44.99	0	3	-1	49	145.141	0	↓ MOL2 SDF SMILES Flexibase

152996

Analogs

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Popular Name: benzamide benzamide

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And 45 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-3-E	Poly [ADP-ribose] Polymerase 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	5400	0.82	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)	0.76	1.27	-8.69	2	2	0	43	121.139	1	↓ MOL2 SDF SMILES Flexibase

17020551

Analogs

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Vendors

NCI Plated 2007
- 109629

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	312	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)	2.01	3.88	-11.48	3	3	0	59	210.236	0	↓ MOL2 SDF SMILES Flexibase

8616043

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And 22 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	390	0.75	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)	1.23	0.92	-10.43	2	3	0	53	161.16	0	↓ MOL2 SDF SMILES Flexibase

8558

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And 17 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-3-E	Poly [ADP-ribose] Polymerase 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	26	0.66	Binding ≤ 10μM
Z80682-2-O	A549 (Lung Carcinoma Cells) (cluster #2 Of 11), Other	Other	180	0.59	Functional ≤ 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)	1.43	1.67	-13.39	3	4	0	76	212.208	0	↓ MOL2 SDF SMILES Flexibase

13834537

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	8	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)	2.28	4.65	-21.08	3	7	0	118	282.259	3	↓ MOL2 SDF SMILES Flexibase

24215

Analogs

34544427

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And 31 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-3-E	Poly [ADP-ribose] Polymerase 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	1400	0.55	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)	1.99	3.7	-11.07	1	3	0	50	197.193	0	↓ MOL2 SDF SMILES Flexibase

12359526

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And 32 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	9	1.02	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)	1.95	0.91	-7.28	1	2	0	33	145.161	0	↓ MOL2 SDF SMILES Flexibase

3628257

Analogs

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Vendors

Aldrich CPR
- PH004287|ALDRICH

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	105	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)	1.23	-1.67	-11.93	1	3	0	34	186.214	0	↓ MOL2 SDF SMILES Flexibase

8960

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And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	20	0.49	Binding ≤ 10μM
PARP3-1-E	Poly [ADP-ribose] Polymerase 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	700	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)	2.13	-0.77	-51.13	3	5	1	66	296.35	3	↓ MOL2 SDF SMILES Flexibase

3821234

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-1-E	Poly [ADP-ribose] Polymerase 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.41	Binding ≤ 10μM
PARP3-1-E	Poly [ADP-ribose] Polymerase 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	70	0.36	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)	2.01	-1.95	-50.61	3	6	1	82	381.431	3	↓ MOL2 SDF SMILES Flexibase

8793749

Analogs

5729165

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And 71 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	5600	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)	1.07	3.4	-9.84	1	3	0	46	160.176	0	↓ MOL2 SDF SMILES Flexibase

1590754

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And 34 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-3-E	Poly [ADP-ribose] Polymerase 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	8000	0.71	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)	0.25	-1.58	-11.05	3	3	0	63	137.138	1	↓ MOL2 SDF SMILES Flexibase

150158

Analogs

32143455

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Popular Name: Benzoyleneurea Benzoyleneurea

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And 74 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	8100	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)	0.63	0.88	-9.23	2	4	0	66	162.148	0	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.09	-1.03	-39.73	1	4	-1	69	161.14	0	↓ MOL2 SDF SMILES Flexibase

3871459

Analogs

34580013
34580014

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And 21 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	240	0.77	Binding ≤ 10μM
PARP2-1-E	Poly [ADP-ribose] Polymerase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1050	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)	0.93	1.69	-11.1	3	3	0	59	160.176	0	↓ MOL2 SDF SMILES Flexibase

60264

Analogs

3480858
6344793
16771394

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Popular Name: DNC009388 DNC009388

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And 16 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-1-E	Poly [ADP-ribose] Polymerase 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	224	0.42	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)	4.19	-0.06	-10.08	1	3	0	41	306.39	4	↓ MOL2 SDF SMILES Flexibase

8580818

Analogs

39244302

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And 56 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	520	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)	2.58	5.73	-9.7	1	2	0	33	195.221	0	↓ MOL2 SDF SMILES Flexibase

34031449

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	8	0.54	Binding ≤ 10μM
PARP2-1-E	Poly [ADP-ribose] Polymerase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	5	0.55	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)	1.59	5.27	-57.19	4	5	1	76	287.387	4	↓ MOL2 SDF SMILES Flexibase

21148053

Analogs

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Vendors

AKOS (make-on-demand)
- AKOS001806085

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-1-E	Poly [ADP-ribose] Polymerase 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2	0.76	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)	1.79	5.09	-11.09	1	4	0	51	217.272	0	↓ MOL2 SDF SMILES Flexibase

8649468

Analogs

5816056

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	6100	0.41	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)	2.49	6.61	-15.57	1	5	0	79	240.218	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.39	5.79	-54.87	0	5	-1	82	239.21	1	↓ MOL2 SDF SMILES Flexibase

8628580

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	3260	0.45	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)	0.68	1.39	-13.69	5	4	0	85	225.251	0	↓ MOL2 SDF SMILES Flexibase

13858421

Analogs

32222915

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Vendors

Chemstep
- 10511

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-1-E	Poly [ADP-ribose] Polymerase 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	299	0.65	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)	0.50	3.48	-14.13	1	4	0	47	187.202	0	↓ MOL2 SDF SMILES Flexibase

35801259

Analogs

36611054

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Vendors

AKOS (make-on-demand)
- AKOS007443977

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-3-E	Poly [ADP-ribose] Polymerase 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	188	0.29	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)	2.85	9.11	-21.55	2	7	0	93	435.524	6	↓ MOL2 SDF SMILES Flexibase

40936067

Analogs

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Vendors

Chembo Pharma
- KB-261653
Sphinx Make-on-demand
- BIM-27-2242

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	4	0.69	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	0.96	-39.95	5	5	1	88	233.295	3	↓ MOL2 SDF SMILES Flexibase

40936336

Analogs

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Vendors

Chembo Pharma
- KB-261652
Sphinx Make-on-demand
- BIM-27-2241

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	9	0.63	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)	1.12	3.17	-37.17	4	5	1	76	247.322	3	↓ MOL2 SDF SMILES Flexibase

36470975

Analogs

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Vendors

Chembo Pharma
- KB-261639
Sphinx Make-on-demand
- BIM-27-2727

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	19	0.68	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)	0.50	-0.64	-46.16	6	5	1	99	219.268	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	0.50	-0.67	-58.25	6	5	1	99	219.268	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.50	-0.92	-17.15	5	5	0	98	218.26	2	↓ MOL2 SDF SMILES Flexibase

3602080

Analogs

26507188
26507216

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Vendors

Chembo Pharma
- KB-309801

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PARP1-2-E	Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	57	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)	2.46	4.4	-52.88	1	4	-1	73	238.222	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = PARP1_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 'PARP1\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=PARP1_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": "PARP1_HUMAN"        

    });
</script>