ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	3100	0.23	Binding ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	329	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)	1.78	-1.89	-17.12	2	9	0	111	459.506	5	↓ MOL2 SDF SMILES Flexibase

4426028

Analogs

4426033

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Popular Name: ethyl ethyl

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Vendors

Chembo Pharma
- KB-81493

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	1700	0.19	Binding ≤ 10μM
KLKB1-1-E	Plasma Kallikrein (cluster #1 Of 3), Eukaryotic	Eukaryotes	7200	0.17	Binding ≤ 10μM
PLMN-2-E	Plasminogen (cluster #2 Of 2), Eukaryotic	Eukaryotes	390	0.21	Binding ≤ 10μM
ST14-1-E	Matriptase (cluster #1 Of 1), Eukaryotic	Eukaryotes	320	0.21	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	490	0.21	Binding ≤ 10μM
TRY1-4-E	Trypsin I (cluster #4 Of 5), Eukaryotic	Eukaryotes	37	0.24	Binding ≤ 10μM
TRYG1-1-E	Tryptase Gamma (cluster #1 Of 1), Eukaryotic	Eukaryotes	6300	0.17	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	410	0.21	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)	4.30	10.74	-41.24	5	10	1	148	614.833	12	↓ MOL2 SDF SMILES Flexibase

13986542

Analogs

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Popular Name: TAK-442 TAK-442

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	4	0.37	Binding ≤ 10μM
FA9-1-E	Coagulation Factor IX (cluster #1 Of 1), Eukaryotic	Eukaryotes	4500	0.23	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	1200	0.26	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)	2.11	5.22	-21.63	2	8	0	107	479.986	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	1.18	4.09	-51.74	3	8	1	112	480.994	5	↓ MOL2 SDF SMILES Flexibase

3981896

Analogs

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Vendors

Chembo Pharma
- KB-78007

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	30	0.35	Binding ≤ 10μM
O77669-1-E	Coagulation Factor X (cluster #1 Of 1), Eukaryotic	Eukaryotes	30	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)	1.00	-4.37	-84.32	5	8	1	121	410.498	6	↓ MOL2 SDF SMILES Flexibase

64527030

Analogs

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Vendors

American Custom Chemicals Corp.
- AAA0008244
Toronto Research Chemicals
- T006750

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	26	0.30	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	3	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)	-0.50	7.05	-77.8	6	10	0	154	477.569	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.50	7.51	-87.34	7	10	1	155	478.577	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.50	8.32	-110.06	8	10	2	160	479.585	9	↓ MOL2 SDF SMILES Flexibase

64528402

Analogs

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Vendors

Chembo Pharma
- KB-65130

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	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)	0.12	4.51	-51.08	7	12	1	189	564.714	14	↓ MOL2 SDF SMILES Flexibase

6717042

Analogs

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Vendors

American Custom Chemicals Corp.
- CHM0292945
Chembo Pharma
- KB-75359

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	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)	2.55	-5.37	-127.46	7	9	1	140	501.611	8	↓ MOL2 SDF SMILES Flexibase

35975467

Analogs

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Vendors

American Custom Chemicals Corp.
- CCH0013012

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	8	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)	2.69	9.88	-80.97	6	8	2	127	521.687	7	↓ MOL2 SDF SMILES Flexibase

28979414

Analogs

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Vendors

Chembo Pharma
- KB-69404

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	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)	5.16	9.11	-24.65	1	7	0	101	573.067	6	↓ MOL2 SDF SMILES Flexibase

36410989

Analogs

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Vendors

Toronto Research Chemicals
- L486750
- L486752

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	5	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)	2.57	7.09	-12	2	7	0	72	459.594	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.57	9.47	-46.44	3	7	1	73	460.602	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.57	11.62	-117.36	4	7	2	74	461.61	5	↓ MOL2 SDF SMILES Flexibase

28979608

Analogs

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Vendors

Chembo Pharma
- KB-76909

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	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)	3.50	6.54	-22.63	1	8	0	114	538.072	7	↓ MOL2 SDF SMILES Flexibase

3920966

Analogs

14113515

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Popular Name: methyl methyl

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Vendors

Chembo Pharma
- KB-73551

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	7	0.30	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	3100	0.20	Binding ≤ 10μM
TRY1-1-E	Trypsin I (cluster #1 Of 5), Eukaryotic	Eukaryotes	98	0.26	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	5.3	-48.98	7	11	1	189	536.59	9	↓ MOL2 SDF SMILES Flexibase

14113515

Analogs

3920966

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Popular Name: methyl methyl

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Vendors

Chembo Pharma
- KB-73551

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	7	0.30	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	3100	0.20	Binding ≤ 10μM
TRY1-1-E	Trypsin I (cluster #1 Of 5), Eukaryotic	Eukaryotes	98	0.26	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	5.28	-51.08	7	11	1	189	536.59	9	↓ MOL2 SDF SMILES Flexibase

2003646

Analogs

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Vendors

American Custom Chemicals Corp.
- CHM0292915
Chembo Pharma
- KB-72634

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
THRB-8-E	Prothrombin (cluster #8 Of 8), Eukaryotic	Eukaryotes	2800	0.24	Binding ≤ 10μM
TRY1-1-E	Trypsin I (cluster #1 Of 5), Eukaryotic	Eukaryotes	21	0.33	Binding ≤ 10μM
TRY2-1-E	Trypsin II (cluster #1 Of 3), Eukaryotic	Eukaryotes	21	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)	1.72	3.62	-47.9	7	9	1	167	462.511	6	↓ MOL2 SDF SMILES Flexibase

13487644

Analogs

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Vendors

American Custom Chemicals Corp.
- CHM0292904
Chembo Pharma
- KB-63695

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	7	0.31	Binding ≤ 10μM
TRY2-1-E	Trypsin II (cluster #1 Of 3), Eukaryotic	Eukaryotes	360	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)	2.75	9.49	-89.29	6	8	2	127	521.687	9	↓ MOL2 SDF SMILES Flexibase

2006270

Analogs

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Popular Name: SN-429 SN-429

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Vendors

Chembo Pharma
- KB-65315

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
FA9-1-E	Coagulation Factor IX (cluster #1 Of 1), Eukaryotic	Eukaryotes	1900	0.24	Binding ≤ 10μM
THRB-8-E	Prothrombin (cluster #8 Of 8), Eukaryotic	Eukaryotes	300	0.27	Binding ≤ 10μM
TRY1-1-E	Trypsin I (cluster #1 Of 5), Eukaryotic	Eukaryotes	16	0.32	Binding ≤ 10μM
TRY2-1-E	Trypsin II (cluster #1 Of 3), Eukaryotic	Eukaryotes	16	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)	2.03	4.68	-44.4	7	9	1	159	475.554	6	↓ MOL2 SDF SMILES Flexibase

3964182

Analogs

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Vendors

American Custom Chemicals Corp.
- CHM0293021
Chembo Pharma
- KB-69087

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.33	Binding ≤ 10μM
TRY2-1-E	Trypsin II (cluster #1 Of 3), Eukaryotic	Eukaryotes	28	0.30	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	-3.75	-84.96	6	8	2	119	473.577	6	↓ MOL2 SDF SMILES Flexibase

13487638

Analogs

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Vendors

Chembo Pharma
- KB-75297

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.34	Binding ≤ 10μM
TRY2-1-E	Trypsin II (cluster #1 Of 3), Eukaryotic	Eukaryotes	21	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)	2.18	7.58	-93.79	6	8	2	127	501.678	8	↓ MOL2 SDF SMILES Flexibase

12355027

Analogs

36751288

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Vendors

Tractus
- TRA0160427

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	48	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)	2.38	-5.5	-16.3	1	7	0	86	430.917	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.38	-5.39	-44.55	2	7	1	88	431.925	5	↓ MOL2 SDF SMILES Flexibase

13557990

Analogs

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Vendors

American Custom Chemicals Corp.
- CHM0292859
Chembo Pharma
- KB-74918

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	12	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)	3.04	5.39	-21.79	3	9	0	117	482.562	8	↓ MOL2 SDF SMILES Flexibase

1490578

Analogs

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Popular Name: DPC 423 DPC 423

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Vendors

Chembo Pharma
- KB-65316

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	150	0.26	Binding ≤ 10μM
FA9-1-E	Coagulation Factor IX (cluster #1 Of 1), Eukaryotic	Eukaryotes	2200	0.21	Binding ≤ 10μM
KLK1-2-E	Kallikrein 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	61	0.27	Binding ≤ 10μM
KLKB1-1-E	Plasma Kallikrein (cluster #1 Of 3), Eukaryotic	Eukaryotes	61	0.27	Binding ≤ 10μM
PROC-1-E	Vitamin K-dependent Protein C (cluster #1 Of 1), Eukaryotic	Eukaryotes	1800	0.22	Binding ≤ 10μM
THRB-4-E	Prothrombin (cluster #4 Of 8), Eukaryotic	Eukaryotes	6000	0.20	Binding ≤ 10μM
TRY1-1-E	Trypsin I (cluster #1 Of 5), Eukaryotic	Eukaryotes	60	0.27	Binding ≤ 10μM
TRY2-1-E	Trypsin II (cluster #1 Of 3), Eukaryotic	Eukaryotes	60	0.27	Binding ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	150	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)	4.45	-1.53	-64.17	4	7	1	108	533.527	7	↓ MOL2 SDF SMILES Flexibase

14959798

Analogs

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Vendors

American Custom Chemicals Corp.
- HCH0316605
Chembo Pharma
- KB-65204

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.39	Binding ≤ 10μM
THRB-1-E	Thrombin (cluster #1 Of 1), Eukaryotic	Eukaryotes	20	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)	3.51	11.22	-49.82	3	7	1	80	454.982	6	↓ MOL2 SDF SMILES Flexibase

13646511

Analogs

34025326

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Vendors

American Custom Chemicals Corp.
- HCH0316435
Chembo Pharma
- KB-65276

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	0.36	Binding ≤ 10μM
THRB-4-E	Prothrombin (cluster #4 Of 8), Eukaryotic	Eukaryotes	2760	0.24	Binding ≤ 10μM
THRB-1-E	Thrombin (cluster #1 Of 1), Eukaryotic	Eukaryotes	420	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)	5.58	13.43	-41.46	2	6	1	65	484.045	6	↓ MOL2 SDF SMILES Flexibase

3964126

Analogs

1494180

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Popular Name: Rivaroxaban Rivaroxaban

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Vendors

And 19 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	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)	2.53	-3.62	-20.72	1	8	0	88	435.889	5	↓ MOL2 SDF SMILES Flexibase

3952416

Analogs

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Popular Name: YM60828 YM60828

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.32	Binding ≤ 10μM
THRB-4-E	Prothrombin (cluster #4 Of 8), Eukaryotic	Eukaryotes	8	0.30	Binding ≤ 10μM
TRY1-1-E	Trypsin I (cluster #1 Of 5), Eukaryotic	Eukaryotes	159	0.25	Binding ≤ 10μM
TRY2-1-E	Trypsin II (cluster #1 Of 3), Eukaryotic	Eukaryotes	63	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)	1.40	-6.86	-92.71	6	10	1	167	538.65	10	↓ MOL2 SDF SMILES Flexibase

28964284

Analogs

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Vendors

Chembo Pharma
- KB-65186

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	4	0.29	Binding ≤ 10μM
Z102352-1-O	Plasma (cluster #1 Of 3), Other	Other	4400	0.19	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)	4.33	10.24	-47.01	5	9	1	130	540.554	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.33	7.74	-19.4	4	9	0	129	539.546	6	↓ MOL2 SDF SMILES Flexibase

3814057

Analogs

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Vendors

Chembo Pharma
- KB-63840

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	0.32	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	8	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)	-0.59	-9.99	-74.27	7	12	1	190	546.655	14	↓ MOL2 SDF SMILES Flexibase

29125652

Analogs

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Vendors

Chembo Pharma
- KB-66518

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.34	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	1000	0.23	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	3.88	-50.81	6	12	1	180	557.078	12	↓ MOL2 SDF SMILES Flexibase

28238972

Analogs

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Vendors

American Custom Chemicals Corp.
- HCH0316431
Chembo Pharma
- KB-65314

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.33	Binding ≤ 10μM
KLK1-1-E	Kallikrein 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	9700	0.19	Binding ≤ 10μM
THRB-4-E	Prothrombin (cluster #4 Of 8), Eukaryotic	Eukaryotes	5500	0.20	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)	6.70	16.5	-37.08	2	5	1	51	514.024	6	↓ MOL2 SDF SMILES Flexibase

3949168

Analogs

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Vendors

American Custom Chemicals Corp.
- HCH0316623

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	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)	3.75	3.44	-38.88	3	6	1	75	488.44	6	↓ MOL2 SDF SMILES Flexibase

3936607

Analogs

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Vendors

American Custom Chemicals Corp.
- CCH0012985
Chembo Pharma
- KB-75024

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	47	0.32	Binding ≤ 10μM
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	47	0.32	Binding ≤ 10μM
PLMN-2-E	Plasminogen (cluster #2 Of 2), Eukaryotic	Eukaryotes	4700	0.23	Binding ≤ 10μM
PROC-1-E	Vitamin K-dependent Protein C (cluster #1 Of 1), Eukaryotic	Eukaryotes	1200	0.26	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	1400	0.26	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	1430	0.26	Binding ≤ 10μM
TRY1-4-E	Trypsin I (cluster #4 Of 5), Eukaryotic	Eukaryotes	850	0.27	Binding ≤ 10μM
TRY2-1-E	Trypsin II (cluster #1 Of 3), Eukaryotic	Eukaryotes	853	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)	1.45	4.78	-43.04	5	8	1	127	453.544	7	↓ MOL2 SDF SMILES Flexibase

28375754

Analogs

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Vendors

American Custom Chemicals Corp.
- CCH0013002
Chembo Pharma
- KB-69691

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	5500	0.25	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)	2.25	4.95	-18.01	2	8	0	97	451.932	7	↓ MOL2 SDF SMILES Flexibase

1494180

Analogs

3964126

Draw Identity 99% 90% 80% 70%

Popular Name: Rivaroxaban Rivaroxaban

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Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	2300	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)	2.53	5.78	-22.12	1	8	0	88	435.889	5	↓ MOL2 SDF SMILES Flexibase

28822898

Analogs

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Vendors

American Custom Chemicals Corp.
- CCH0013003
Chembo Pharma
- KB-69692

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.39	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	3601	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)	4.38	12.72	-54.29	3	5	1	63	473.062	7	↓ MOL2 SDF SMILES Flexibase

44359941

Analogs

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Vendors

Chembo Pharma
- KB-78023

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	500	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)	1.19	2.87	-78.93	6	11	0	202	547.611	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.19	4.48	-99.1	5	11	-1	204	546.603	11	↓ MOL2 SDF SMILES Flexibase

3930979

Analogs

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Vendors

Chembo Pharma
- KB-74468

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.30	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)	3.18	-3.76	-107.21	7	10	1	162	557.675	12	↓ MOL2 SDF SMILES Flexibase

1908051

Analogs

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Popular Name: xaban xaban

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
TRY1-1-E	Trypsin I (cluster #1 Of 5), Eukaryotic	Eukaryotes	301	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)	1.17	-0.54	-64.82	5	8	1	132	447.515	9	↓ MOL2 SDF SMILES Flexibase

1910616

Analogs

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Popular Name: Dabigatran Dabigatran

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Vendors

And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	3760	0.22	Binding ≤ 10μM
PLMN-1-E	Plasminogen (cluster #1 Of 2), Eukaryotic	Eukaryotes	1695	0.23	Binding ≤ 10μM
THRB-4-E	Prothrombin (cluster #4 Of 8), Eukaryotic	Eukaryotes	9	0.32	Binding ≤ 10μM
TRY1-1-E	Trypsin I (cluster #1 Of 5), Eukaryotic	Eukaryotes	50	0.29	Binding ≤ 10μM
TRY2-1-E	Trypsin II (cluster #1 Of 3), Eukaryotic	Eukaryotes	50	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)	0.97	-4.39	-75.96	5	10	0	154	471.521	9	↓ MOL2 SDF SMILES Flexibase

1033024

Analogs

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Vendors

Chembo Pharma
- KB-75291

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	11	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)	6.07	-0.06	-13.98	2	4	0	58	438.911	4	↓ MOL2 SDF SMILES Flexibase

30691754

Analogs

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Popular Name: Betrixaban Betrixaban

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Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.38	Binding ≤ 10μM
KCNH2-1-E	HERG (cluster #1 Of 5), Eukaryotic	Eukaryotes	8900	0.22	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	8.66	-41.9	4	8	1	109	452.922	7	↓ MOL2 SDF SMILES Flexibase

13507825

Analogs

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Popular Name: DNC008921 DNC008921

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	1900	0.26	Binding ≤ 10μM
FA12-1-E	Coagulation Factor XII (cluster #1 Of 1), Eukaryotic	Eukaryotes	180	0.30	Binding ≤ 10μM
KLKB1-3-E	Plasma Kallikrein (cluster #3 Of 3), Eukaryotic	Eukaryotes	31	0.34	Binding ≤ 10μM
TF-1-E	Coagulation Factor III (cluster #1 Of 1), Eukaryotic	Eukaryotes	1500	0.26	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	2500	0.25	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)	-0.34	5.3	-88.32	9	9	2	156	452.987	13	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.34	3.86	-48.36	8	9	1	151	451.979	13	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.29	3.81	-67.75	8	9	1	164	451.979	12	↓ MOL2 SDF SMILES Flexibase

3941009

Analogs

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Vendors

Chembo Pharma
- KB-75290

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	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)	6.58	-0.95	-13.4	2	4	0	58	455.366	4	↓ MOL2 SDF SMILES Flexibase

45357357

Analogs

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Vendors

Chembo Pharma
- KB-71428

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	960	0.27	Binding ≤ 10μM
FA9-1-E	Coagulation Factor IX (cluster #1 Of 1), Eukaryotic	Eukaryotes	29	0.34	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	250	0.30	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)	4.25	8.39	-38.54	6	6	1	102	431.541	7	↓ MOL2 SDF SMILES Flexibase

45357359

Analogs

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Vendors

Chembo Pharma
- KB-71428

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	960	0.27	Binding ≤ 10μM
FA9-1-E	Coagulation Factor IX (cluster #1 Of 1), Eukaryotic	Eukaryotes	29	0.34	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	250	0.30	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)	4.25	8.46	-39.61	6	6	1	102	431.541	7	↓ MOL2 SDF SMILES Flexibase

1902827

Analogs

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Popular Name: CI-1031 CI-1031

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Vendors

Toronto Research Chemicals
- F335500

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
THRB-4-E	Prothrombin (cluster #4 Of 8), Eukaryotic	Eukaryotes	2000	0.21	Binding ≤ 10μM
TRY1-1-E	Trypsin I (cluster #1 Of 5), Eukaryotic	Eukaryotes	280	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)	0.41	-5.19	-105.82	6	11	1	163	527.508	9	↓ MOL2 SDF SMILES Flexibase

3831848

Analogs

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Vendors

American Custom Chemicals Corp.
- CHM0292824

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	96	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)	4.58	-2.56	-40.01	5	5	1	85	447.562	6	↓ MOL2 SDF SMILES Flexibase

13800223

Analogs

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Popular Name: DNC004439 DNC004439

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Vendors

American Custom Chemicals Corp.
- CCH0012984
Chembo Pharma
- KB-75023

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	80	0.33	Binding ≤ 10μM
PLMN-2-E	Plasminogen (cluster #2 Of 2), Eukaryotic	Eukaryotes	4700	0.25	Binding ≤ 10μM
PROC-1-E	Vitamin K-dependent Protein C (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.24	Binding ≤ 10μM
TRY2-1-E	Trypsin II (cluster #1 Of 3), Eukaryotic	Eukaryotes	2900	0.26	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	5.49	-40.89	5	7	1	118	423.518	6	↓ MOL2 SDF SMILES Flexibase

3807246

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANT3-1-E	Antithrombin-III Precursor (cluster #1 Of 1), Eukaryotic	Eukaryotes	570	0.24	Binding ≤ 10μM
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	7900	0.19	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	7	0.31	Binding ≤ 10μM
TRY1-4-E	Trypsin I (cluster #4 Of 5), Eukaryotic	Eukaryotes	690	0.23	Binding ≤ 10μM
TRY2-1-E	Trypsin II (cluster #1 Of 3), Eukaryotic	Eukaryotes	690	0.23	Binding ≤ 10μM
TRY3-1-E	Trypsin III (cluster #1 Of 1), Eukaryotic	Eukaryotes	690	0.23	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)	2.23	6.47	-52.48	6	9	1	147	522.651	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = FA10-1-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 'FA10-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=FA10-1-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": "FA10-1-E",        
        "target.type": "B10"        

    });
</script>