ZINC 12

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)	5.19	8.81	-42.46	0	3	-1	39	427.365	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.19	8.34	-8.92	1	3	0	36	428.373	5	↓ MOL2 SDF SMILES Flexibase

64539637

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC-1-E	Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.41	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	1.4	0.40	Binding ≤ 1μM
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	1.4	0.40	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	8.84	-84.41	0	5	-2	79	470.366	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.06	8.34	-39.19	1	5	-1	76	471.374	6	↓ MOL2 SDF SMILES Flexibase

64539821

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC-1-E	Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.38	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	3.1	0.38	Binding ≤ 1μM
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	3.1	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)	4.22	7.02	-44.89	1	5	-1	68	466.427	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.22	6.52	-12.81	2	5	0	65	467.435	6	↓ MOL2 SDF SMILES Flexibase

64539822

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC-1-E	Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic	Eukaryotes	5	0.42	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	4.5	0.42	Binding ≤ 1μM
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	4.5	0.42	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.00	5.73	-40.02	1	4	-1	59	425.374	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.00	5.22	-7.16	2	4	0	57	426.382	5	↓ MOL2 SDF SMILES Flexibase

64539883

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC-1-E	Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic	Eukaryotes	13	0.41	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	13	0.41	Binding ≤ 1μM
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	13	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)	5.05	8.75	-39.77	0	3	-1	39	409.375	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.05	8.28	-6.88	1	3	0	36	410.383	5	↓ MOL2 SDF SMILES Flexibase

64541004

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC-1-E	Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic	Eukaryotes	11	0.38	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	11	0.38	Binding ≤ 1μM
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	11	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)	4.43	8.43	-40.19	0	4	-1	63	434.385	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.43	7.96	-10.26	1	4	0	60	435.393	5	↓ MOL2 SDF SMILES Flexibase

64541005

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC-1-E	Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.42	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	1.1	0.42	Binding ≤ 1μM
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	1.1	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)	3.89	8.68	-87.56	0	5	-2	79	452.376	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.89	8.21	-42.08	1	5	-1	76	453.384	6	↓ MOL2 SDF SMILES Flexibase

64548555

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC-1-E	Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic	Eukaryotes	640	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	4.7	0.38	Binding ≤ 1μM
DCMC_MOUSE	Q99J39	Malonyl-CoA Decarboxylase, Mitochondrial, Mouse	640	0.28	Binding ≤ 1μM
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	4.7	0.38	Binding ≤ 10μM
DCMC_MOUSE	Q99J39	Malonyl-CoA Decarboxylase, Mitochondrial, Mouse	640	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)	3.75	6.48	-43.27	1	5	-1	68	466.427	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.75	5.97	-12.23	2	5	0	65	467.435	6	↓ MOL2 SDF SMILES Flexibase

64548578

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC-1-E	Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic	Eukaryotes	230	0.31	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	0.9	0.42	Binding ≤ 1μM
DCMC_MOUSE	Q99J39	Malonyl-CoA Decarboxylase, Mitochondrial, Mouse	230	0.31	Binding ≤ 1μM
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	0.9	0.42	Binding ≤ 10μM
DCMC_MOUSE	Q99J39	Malonyl-CoA Decarboxylase, Mitochondrial, Mouse	230	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)	4.94	9.3	-89.93	0	5	-2	79	452.376	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.94	8.79	-51.9	1	5	-1	76	453.384	6	↓ MOL2 SDF SMILES Flexibase

64548644

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC-1-E	Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic	Eukaryotes	500	0.26	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	0.9	0.37	Binding ≤ 1μM
DCMC_MOUSE	Q99J39	Malonyl-CoA Decarboxylase, Mitochondrial, Mouse	500	0.26	Binding ≤ 1μM
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	0.9	0.37	Binding ≤ 10μM
DCMC_MOUSE	Q99J39	Malonyl-CoA Decarboxylase, Mitochondrial, Mouse	500	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)	3.31	4.18	-94.53	0	7	-2	109	529.484	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.31	3.68	-49.61	1	7	-1	106	530.492	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.13	4.26	-16.21	2	7	0	100	531.5	7	↓ MOL2 SDF SMILES Flexibase

64548645

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC-1-E	Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.34	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	3.3	0.34	Binding ≤ 1μM
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	3.3	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)	4.68	7.79	-41.35	1	5	-1	68	534.424	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.68	7.32	-8.5	2	5	0	65	535.432	8	↓ MOL2 SDF SMILES Flexibase

64548933

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC-1-E	Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.41	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	1.7	0.41	Binding ≤ 1μM
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	1.7	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)	4.10	9.29	-92.56	0	5	-2	79	452.376	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.10	8.78	-51.01	1	5	-1	76	453.384	6	↓ MOL2 SDF SMILES Flexibase

64549088

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC-1-E	Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.39	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	4	0.39	Binding ≤ 1μM
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	4	0.39	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.96	9.31	-93.91	0	5	-2	79	452.376	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.96	8.84	-54.01	1	5	-1	76	453.384	6	↓ MOL2 SDF SMILES Flexibase

64549089

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC-1-E	Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic	Eukaryotes	950	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	1.8	0.41	Binding ≤ 1μM
DCMC_MOUSE	Q99J39	Malonyl-CoA Decarboxylase, Mitochondrial, Mouse	950	0.28	Binding ≤ 1μM
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	1.8	0.41	Binding ≤ 10μM
DCMC_MOUSE	Q99J39	Malonyl-CoA Decarboxylase, Mitochondrial, Mouse	950	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)	3.85	5.52	-44.68	2	5	-1	82	452.4	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.85	5.02	-12.69	3	5	0	79	453.408	6	↓ MOL2 SDF SMILES Flexibase

64549278

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC-1-E	Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	0.6	0.39	Binding ≤ 1μM
DCMC_HUMAN	O95822	Malonyl-CoA Decarboxylase, Human	0.6	0.39	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	9.24	-166.05	0	7	-3	119	495.377	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.78	8.77	-115.28	1	7	-2	117	496.385	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 366237
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 366237 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    window.zinc.embed('zinc-link', {
        "ring.id": "366237"        

    });
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ZINC 12

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