ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-2-B	Methionine Aminopeptidase (cluster #2 Of 3), Bacterial	Bacteria	110	0.75	Binding ≤ 10μM
AMPM1-1-F	Methionine Aminopeptidase 1 (cluster #1 Of 1), Fungal	Fungi	2260	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)	1.05	2.25	-13.43	1	4	0	55	211.271	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.12	1.06	-47.25	0	4	-1	61	210.263	2	↓ MOL2 SDF SMILES Flexibase

28345987

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-2-B	Methionine Aminopeptidase (cluster #2 Of 3), Bacterial	Bacteria	6710	0.48	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)	1.05	1.18	-29.64	4	5	1	85	221.265	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.19	0.77	-35.83	3	5	0	88	220.257	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.19	0.11	-50.41	2	5	-1	87	219.249	2	↓ MOL2 SDF SMILES Flexibase

13814845

Analogs

34960972

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	1130	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)	3.07	7.65	-57.01	0	4	-1	63	231.227	4	↓ MOL2 SDF SMILES Flexibase

13679495

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	78	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)	1.45	3.21	-13.64	1	4	0	54	202.242	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.45	3.5	-41.89	2	4	1	56	203.25	1	↓ MOL2 SDF SMILES Flexibase

4658787

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	368	0.47	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)	3.61	3.01	-56.63	0	4	-1	62	271.17	4	↓ MOL2 SDF SMILES Flexibase

13679474

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Enamine BB Make on Demand
- BBV-36842337

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	7157	0.48	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)	2.78	4.7	-8.91	1	3	0	42	215.281	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.78	5.14	-25.63	2	3	1	43	216.289	1	↓ MOL2 SDF SMILES Flexibase

238077

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Specs
- AH-262/34399022
eMolecules
- 1337799
Asinex
- BAS01409287
BioBlocks
- A4052/0172839
BioBlocks BB
- ZERO/004534

And 21 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	1560	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)	3.25	1.77	-51.13	0	6	-1	99	266.616	3	↓ MOL2 SDF SMILES Flexibase

13679493

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	431	0.52	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	5.61	-8.95	1	4	0	65	220.235	1	↓ MOL2 SDF SMILES Flexibase

13122930

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM2-2-E	Methionine Aminopeptidase 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	9300	0.44	Binding ≤ 10μM
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	967	0.53	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	3.1	-9.81	3	4	0	68	210.24	1	↓ MOL2 SDF SMILES Flexibase

13679485

Analogs

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Popular Name: DNC010965 DNC010965

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	1511	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)	2.54	5.29	-7.42	1	3	0	42	213.215	1	↓ MOL2 SDF SMILES Flexibase

1456631

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	4591	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)	1.72	3.34	-9.62	1	4	0	54	196.213	1	↓ MOL2 SDF SMILES Flexibase

280585

Analogs

34975309
44199332

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	780	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)	3.32	7.8	-53.58	0	3	-1	53	221.619	2	↓ MOL2 SDF SMILES Flexibase

28564578

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Vendors

Princeton BioMolecular Research
- OSSL_838835

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	793	0.53	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)	2.62	3.7	-14.35	2	4	0	62	237.642	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.62	4.95	-55.09	1	4	-1	65	236.634	2	↓ MOL2 SDF SMILES Flexibase

457067

Analogs

34975309

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	1710	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)	3.72	7.11	-55.24	0	3	-1	53	235.646	2	↓ MOL2 SDF SMILES Flexibase

349812

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	290	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)	3.53	8.22	-56.76	0	3	-1	53	255.171	3	↓ MOL2 SDF SMILES Flexibase

4387691

Analogs

33809577

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	6560	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)	2.13	-4.48	-8.77	3	4	0	68	236.658	2	↓ MOL2 SDF SMILES Flexibase

5819379

Analogs

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Popular Name: DNC010963 DNC010963

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And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM2-2-E	Methionine Aminopeptidase 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	8000	0.48	Binding ≤ 10μM
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	550	0.58	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)	1.30	3.02	-43.8	0	4	-1	53	195.205	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.30	3.34	-9.09	1	4	0	54	196.213	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.30	3.87	-29.49	2	4	1	56	197.221	1	↓ MOL2 SDF SMILES Flexibase

13521891

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-2-B	Methionine Aminopeptidase (cluster #2 Of 3), Bacterial	Bacteria	1870	0.53	Binding ≤ 10μM
AMPM1-1-F	Methionine Aminopeptidase 1 (cluster #1 Of 1), Fungal	Fungi	4860	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)	0.83	2.85	-56.8	1	5	-1	78	220.233	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.90	0.59	-13.58	2	5	0	83	221.241	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.83	3.32	-47.36	2	5	0	79	221.241	2	↓ MOL2 SDF SMILES Flexibase

12481420

Analogs

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Popular Name: DNC010959 DNC010959

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM2-2-E	Methionine Aminopeptidase 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	7700	0.45	Binding ≤ 10μM
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	2086	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)	2.82	5.89	-9.05	1	3	0	42	209.252	1	↓ MOL2 SDF SMILES Flexibase

28349959

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Enamine BB Make on Demand
- BBV-43934180

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-2-B	Methionine Aminopeptidase (cluster #2 Of 3), Bacterial	Bacteria	2090	0.53	Binding ≤ 10μM
AMPM1-1-F	Methionine Aminopeptidase 1 (cluster #1 Of 1), Fungal	Fungi	2430	0.52	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.37	1.29	-16.07	3	5	0	81	220.257	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.43	0.1	-52.56	2	5	-1	87	219.249	2	↓ MOL2 SDF SMILES Flexibase

28354101

Analogs

36756805
36756893

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-2-B	Methionine Aminopeptidase (cluster #2 Of 3), Bacterial	Bacteria	5820	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)	0.36	3.04	-50.71	1	6	-1	95	248.243	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.42	1.84	-112.7	0	6	-2	101	247.235	3	↓ MOL2 SDF SMILES Flexibase

4657315

Analogs

40174187

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	642	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)	2.63	2.01	-54.66	0	7	-1	108	262.197	4	↓ MOL2 SDF SMILES Flexibase

13679482

Analogs

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Popular Name: DNC010958 DNC010958

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	3390	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)	1.40	1.91	-9.74	3	4	0	68	216.269	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.40	2.35	-25.73	4	4	1	69	217.277	1	↓ MOL2 SDF SMILES Flexibase

156746

Analogs

34975309
36984576
44199332

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	693	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)	3.97	1.08	-50.21	0	3	-1	53	256.064	2	↓ MOL2 SDF SMILES Flexibase

13679483

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	4307	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)	2.49	4.15	-8.56	1	3	0	42	219.244	1	↓ MOL2 SDF SMILES Flexibase

13679487

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	5153	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)	3.01	4.59	-8.02	1	3	0	42	235.699	1	↓ MOL2 SDF SMILES Flexibase

8727138

Analogs

569358

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Vendors

AKOS (make-on-demand)
- AKOS004117308

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	7170	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)	2.43	1.78	-53.98	0	4	-1	70	215.184	3	↓ MOL2 SDF SMILES Flexibase

12525556

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And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	1218	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)	2.29	4.75	-8.64	1	6	0	87	246.251	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.29	4.32	-38.73	0	6	-1	86	245.243	2	↓ MOL2 SDF SMILES Flexibase

28530394

Analogs

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Vendors

Chembo Pharma
- KB-243360

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	6920	0.48	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)	2.42	3.52	-50.21	1	4	-1	73	203.173	2	↓ MOL2 SDF SMILES Flexibase

13233958

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And 12 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	105	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)	1.50	4.44	-13.4	1	4	0	54	196.213	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.50	4.7	-41.99	2	4	1	56	197.221	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.50	5.11	-94.13	3	4	2	57	198.229	1	↓ MOL2 SDF SMILES Flexibase

13679477

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	2433	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)	3.20	6.43	-9.41	1	3	0	42	223.279	1	↓ MOL2 SDF SMILES Flexibase

13679468

Analogs

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Vendors

Chembo Pharma
- KB-303899

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	777	0.53	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	4.09	-38.33	2	4	0	66	211.224	1	↓ MOL2 SDF SMILES Flexibase

265874

Analogs

34960970
34960972

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And 11 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	558	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)	2.70	6.72	-56.41	0	4	-1	63	217.2	3	↓ MOL2 SDF SMILES Flexibase

302074

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	992	0.38	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)	4.06	1.23	-10.7	0	3	0	30	285.35	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.32	1.45	-25.55	1	3	1	32	286.358	3	↓ MOL2 SDF SMILES Flexibase

570088

Analogs

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And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	1320	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)	3.25	1.74	-53.1	0	6	-1	99	266.616	3	↓ MOL2 SDF SMILES Flexibase

15990236

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	162	0.53	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)	2.33	5.94	-8.51	1	6	0	87	240.222	2	↓ MOL2 SDF SMILES Flexibase

554515

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	1110	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)	3.02	2.18	-49.04	0	6	-1	99	246.198	3	↓ MOL2 SDF SMILES Flexibase

13679497

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	1724	0.58	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)	1.26	1.63	-45.17	0	4	-1	53	201.234	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.26	2.62	-43.84	2	4	1	56	203.25	1	↓ MOL2 SDF SMILES Flexibase

13233998

Analogs

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Vendors

Chemstep
- 12166
Scientific Exchange (make on demand)
- POD_04/0444

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	8956	0.54	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.60	4.57	-13.61	4	4	0	70	192.247	1	↓ MOL2 SDF SMILES Flexibase

26479958

Analogs

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Vendors

PBMR Labs Building Blocks
- RBK_002795
Princeton BioMolecular Research
- OSSL_849849

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	3470	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)	2.47	7.26	-65.27	0	5	-1	80	245.21	4	↓ MOL2 SDF SMILES Flexibase

155127

Analogs

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And 29 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-3-B	Methionine Aminopeptidase (cluster #3 Of 3), Bacterial	Bacteria	1080	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)	2.60	2.16	-67.47	0	6	-1	99	232.171	3	↓ MOL2 SDF SMILES Flexibase

73711

Analogs

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Popular Name: Thiabendazole Thiabendazole

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And 46 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	472	0.63	Binding ≤ 10μM
Z50607-3-O	Human Immunodeficiency Virus 1 (cluster #3 Of 10), Other	Other	4160	0.54	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)	2.35	4.04	-9.14	1	3	0	42	201.254	1	↓ MOL2 SDF SMILES Flexibase

225950

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And 44 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-1-B	Methionine Aminopeptidase (cluster #1 Of 3), Bacterial	Bacteria	574	0.58	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)	2.40	5.22	-9.29	1	3	0	42	195.225	1	↓ MOL2 SDF SMILES Flexibase

777985

Analogs

24258146

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And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM1-2-E	Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	8100	0.51	Binding ≤ 10μM
CTR4-1-E	Cationic Amino Acid Transporter 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.52	Binding ≤ 10μM
AMPM-2-B	Methionine Aminopeptidase (cluster #2 Of 3), Bacterial	Bacteria	5000	0.53	Binding ≤ 10μM
AMPM1-1-F	Methionine Aminopeptidase 1 (cluster #1 Of 1), Fungal	Fungi	7000	0.52	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.71	3.35	-12.95	1	4	0	55	205.242	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.78	1.79	-52	0	4	-1	61	204.234	2	↓ MOL2 SDF SMILES Flexibase

13521829

Analogs

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Vendors

Chemstep
- 37796

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPM-2-B	Methionine Aminopeptidase (cluster #2 Of 3), Bacterial	Bacteria	330	0.53	Binding ≤ 10μM
AMPM1-1-F	Methionine Aminopeptidase 1 (cluster #1 Of 1), Fungal	Fungi	320	0.53	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	2.08	-12.63	2	6	0	84	248.267	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = AMPM_ECOLI
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 'AMPM\\_ECOLI' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=AMPM_ECOLI&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": "AMPM_ECOLI"        

    });
</script>