ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	98	0.32	Binding ≤ 10μM
PTAFR-1-E	Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	98	0.32	Functional ≤ 10μM
Z50587-1-O	Homo Sapiens (cluster #1 Of 9), Other	Other	40	0.33	Functional ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	91	0.32	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)	2.12	9.62	-18	0	7	0	73	455.971	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.12	10.55	-40.91	1	7	1	74	456.979	4	↓ MOL2 SDF SMILES Flexibase

27657184

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CAC1D-1-E	Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	6800	0.16	Binding ≤ 10μM
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	5	0.26	Binding ≤ 10μM
PTAFR-1-E	Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.26	Functional ≤ 10μM
Z50588-2-O	Canis Familiaris (cluster #2 Of 7), Other	Other	6600	0.16	Functional ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	29	0.24	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)	4.88	16.7	-28.15	2	9	0	111	605.098	8	↓ MOL2 SDF SMILES Flexibase

28771591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: INN) INN)

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CAC1D-1-E	Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	6800	0.16	Binding ≤ 10μM
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	5	0.26	Binding ≤ 10μM
PTAFR-1-E	Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.26	Functional ≤ 10μM
Z50588-2-O	Canis Familiaris (cluster #2 Of 7), Other	Other	6600	0.16	Functional ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	29	0.24	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)	4.88	16.55	-28.49	2	9	0	111	605.098	8	↓ MOL2 SDF SMILES Flexibase

4098925

Analogs

14727696
31167728
33832943
35458905
35458907

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1100	0.31	Binding ≤ 10μM
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	4500	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)	4.11	8.4	-11.09	0	5	0	46	372.461	6	↓ MOL2 SDF SMILES Flexibase

17836230

Analogs

1532042

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1100	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)	4.11	8.54	-11	0	5	0	46	372.461	6	↓ MOL2 SDF SMILES Flexibase

4098814

Analogs

6468453
6469313
14952524
4098757
899936

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

None

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	150	0.37	Binding ≤ 10μM
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	240	0.36	Binding ≤ 10μM
PTAFR-1-E	Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	3300	0.30	Functional ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	58	0.39	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)	3.40	2.45	-11.59	0	5	0	54	356.418	6	↓ MOL2 SDF SMILES Flexibase

3796018

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: MK-287 MK-287

Find On: PubMed — Wikipedia — Google

Vendors

American Custom Chemicals Corp.
- NEW0078877
Tetrahedron Building Blocks
- TS72792

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	6	0.33	Binding ≤ 10μM
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	59	0.29	Binding ≤ 10μM
PTAFR-1-E	Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	14	0.31	Functional ≤ 10μM
Z50587-1-O	Homo Sapiens (cluster #1 Of 9), Other	Other	56	0.29	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)	2.82	-3.66	-17.93	1	9	0	109	510.605	12	↓ MOL2 SDF SMILES Flexibase

13455612

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-270505

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	3250	0.24	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)	6.73	12.23	-10.38	1	3	0	33	433.567	6	↓ MOL2 SDF SMILES Flexibase

13455616

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-270505

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	3250	0.24	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)	6.73	11.95	-9.65	1	3	0	33	433.567	6	↓ MOL2 SDF SMILES Flexibase

4098757

Analogs

4098814
6468453
6469313
14952524
899936

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

None

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	240	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)	3.40	2.68	-11.42	0	5	0	54	356.418	6	↓ MOL2 SDF SMILES Flexibase

600747

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	2	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)	3.46	14.21	-22.36	0	7	0	73	479.515	4	↓ MOL2 SDF SMILES Flexibase

18269677

Analogs

1532042

Draw Identity 99% 90% 80% 70%

Popular Name: Ganschisandrine Ganschisandrine

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	4500	0.28	Binding ≤ 10μM
Z50466-1-O	Trypanosoma Cruzi (cluster #1 Of 8), Other	Other	4400	0.28	Functional ≤ 10μM
Z50607-1-O	Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other	Other	7700	0.27	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)	4.11	8.79	-11.19	0	5	0	46	372.461	6	↓ MOL2 SDF SMILES Flexibase

29555312

Analogs

1532042

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	200	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)	4.11	8.27	-11.02	0	5	0	46	372.461	6	↓ MOL2 SDF SMILES Flexibase

598829

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 29 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HRH1-1-E	Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	4	0.39	Binding ≤ 10μM
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	3700	0.25	Binding ≤ 10μM
Z50512-1-O	Cavia Porcellus (cluster #1 Of 7), Other	Other	4	0.39	Functional ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	3700	0.25	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)	4.72	1.24	-43.61	1	3	1	30	416.976	2	↓ MOL2 SDF SMILES Flexibase

3809579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: A-85783 A-85783

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	4	0.32	Binding ≤ 10μM
PTAFR-1-E	Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	4	0.32	Functional ≤ 10μM
Z50592-1-O	Oryctolagus Cuniculus (cluster #1 Of 1), Other	Other	4	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)	5.28	2.16	-16.31	0	6	0	60	510.594	4	↓ MOL2 SDF SMILES Flexibase

596712

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: PegCNTF PegCNTF

Find On: PubMed — Wikipedia — Google

Vendors

Molcan
- desloratadine-n-acet
- loratadine-n-acetyl

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HRH1-1-E	Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	100	0.39	Binding ≤ 10μM
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	840	0.34	Binding ≤ 10μM
PTAFR-1-E	Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	610	0.35	Functional ≤ 10μM
Z50512-1-O	Cavia Porcellus (cluster #1 Of 7), Other	Other	100	0.39	Functional ≤ 10μM
Z50587-1-O	Homo Sapiens (cluster #1 Of 9), Other	Other	610	0.35	Functional ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	840	0.34	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)	3.49	0.71	-10.43	0	3	0	33	352.865	0	↓ MOL2 SDF SMILES Flexibase

1532042

Analogs

4098925
17836230
18269677
29555312
31167723

Draw Identity 99% 90% 80% 70%

Popular Name: DNC003599 DNC003599

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1000	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)	4.11	8.59	-10.96	0	5	0	46	372.461	6	↓ MOL2 SDF SMILES Flexibase

27709016

Analogs

27709020
33902550
596872

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-278209

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	2	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)	2.37	8.5	-42.09	2	5	1	53	397.568	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.37	7.4	-12.34	1	5	0	48	396.56	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.37	9.6	-56.83	2	5	1	50	397.568	6	↓ MOL2 SDF SMILES Flexibase

27709020

Analogs

33902550
596872
27709016

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-278209

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	2	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)	2.37	8.43	-44.79	2	5	1	53	397.568	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.37	7.51	-13.14	1	5	0	48	396.56	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.37	9.93	-55.28	2	5	1	50	397.568	6	↓ MOL2 SDF SMILES Flexibase

14243646

Analogs

14243647

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Toronto Research Chemicals
- C856000

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	7	0.27	Binding ≤ 10μM
PTAFR-1-E	Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	75	0.23	Functional ≤ 10μM
Z50512-1-O	Cavia Porcellus (cluster #1 Of 7), Other	Other	55	0.24	Functional ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	12	0.26	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)	4.69	18.67	-37.1	1	9	1	98	606.869	27	↓ MOL2 SDF SMILES Flexibase

14243647

Analogs

14243646

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Toronto Research Chemicals
- C856000

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	7	0.27	Binding ≤ 10μM
PTAFR-1-E	Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	75	0.23	Functional ≤ 10μM
PTAFR-1-E	Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	91	0.23	Functional ≤ 10μM
Z50512-1-O	Cavia Porcellus (cluster #1 Of 7), Other	Other	55	0.24	Functional ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	12	0.26	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)	4.69	18.64	-35.54	1	9	1	98	606.869	27	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = PTAFR-2-E
target.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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'PTAFR-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=PTAFR-2-E&target.type=B10&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', {
        "target.name": "PTAFR-2-E",        
        "target.type": "B10"        

    });
</script>