ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
C1R-1-E	Complement C1r (cluster #1 Of 1), Eukaryotic	Eukaryotes	1400	0.46	Binding ≤ 10μM
C1S-1-E	Complement C1s (cluster #1 Of 1), Eukaryotic	Eukaryotes	1250	0.46	Binding ≤ 10μM
KLK1-1-E	Kallikrein 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	9890	0.39	Binding ≤ 10μM
PLMN-1-E	Plasminogen (cluster #1 Of 2), Eukaryotic	Eukaryotes	6680	0.40	Binding ≤ 10μM
THRB-4-E	Prothrombin (cluster #4 Of 8), Eukaryotic	Eukaryotes	510	0.49	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.24	1.15	-8.83	0	3	0	43	349.127	1	↓ 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

4426033

Analogs

4426028

Draw Identity 99% 90% 80% 70%

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
PLMN-2-E	Plasminogen (cluster #2 Of 2), Eukaryotic	Eukaryotes	1200	0.19	Binding ≤ 10μM
TRY2-1-E	Trypsin II (cluster #1 Of 3), Eukaryotic	Eukaryotes	120	0.23	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	960	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)	4.30	10.52	-48.64	5	10	1	148	614.833	12	↓ MOL2 SDF SMILES Flexibase

1009546

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PLMN-2-E	Plasminogen (cluster #2 Of 2), Eukaryotic	Eukaryotes	1000	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)	2.31	-0.38	-8.04	0	7	0	86	350.377	4	↓ MOL2 SDF SMILES Flexibase

14813714

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PLMN-1-E	Plasminogen (cluster #1 Of 2), Eukaryotic	Eukaryotes	2300	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)	2.51	1.2	-13.6	3	6	0	100	300.266	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.51	2.18	-57.57	2	6	-1	103	299.258	2	↓ MOL2 SDF SMILES Flexibase

1763

Analogs

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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
C1R-1-E	Complement C1r (cluster #1 Of 1), Eukaryotic	Eukaryotes	1040	0.32	Binding ≤ 10μM
C1S-1-E	Complement C1s (cluster #1 Of 1), Eukaryotic	Eukaryotes	140	0.37	Binding ≤ 10μM
KLK1-1-E	Kallikrein 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	650	0.33	Binding ≤ 10μM
PLMN-1-E	Plasminogen (cluster #1 Of 2), Eukaryotic	Eukaryotes	2900	0.30	Binding ≤ 10μM
THRB-8-E	Prothrombin (cluster #8 Of 8), Eukaryotic	Eukaryotes	290	0.35	Binding ≤ 10μM
TRY1-1-E	Trypsin I (cluster #1 Of 5), Eukaryotic	Eukaryotes	20	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)	2.29	7.87	-80.13	9	7	2	142	349.394	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

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

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

Parameters Provided:

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

Permalink

//zinc12.docking.org/results/combination?annotation.name=PLMN_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": "PLMN_HUMAN"        

    });
</script>