ZINC 12

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Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

13911809

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

American Custom Chemicals Corp.
- API0010117

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MMP1-2-E	Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	46	0.47	Binding ≤ 10μM
MMP3-1-E	Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3700	0.35	Binding ≤ 10μM
MMP9-2-E	Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic	Eukaryotes	250	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)	2.18	2.85	-8.43	3	5	0	78	332.51	9	↓ MOL2 SDF SMILES Flexibase

3780014

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: GM6001 GM6001

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ADA10-1-E	ADAM10 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.40	Binding ≤ 10μM
ADA12-1-E	ADAM12 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.41	Binding ≤ 10μM
ADA17-1-E	ADAM17 (cluster #1 Of 2), Eukaryotic	Eukaryotes	8	0.40	Binding ≤ 10μM
ADAM9-1-E	ADAM9 (cluster #1 Of 1), Eukaryotic	Eukaryotes	56	0.36	Binding ≤ 10μM
MMP1-2-E	Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	6	0.41	Binding ≤ 10μM
MMP10-1-E	Matrix Metalloproteinase 10 (cluster #1 Of 1), Eukaryotic	Eukaryotes	26	0.38	Binding ≤ 10μM
MMP11-1-E	Matrix Metalloproteinase 11 (cluster #1 Of 1), Eukaryotic	Eukaryotes	26	0.38	Binding ≤ 10μM
MMP12-1-E	Macrophage Metalloelastase (cluster #1 Of 2), Eukaryotic	Eukaryotes	5	0.42	Binding ≤ 10μM
MMP13-1-E	Matrix Metalloproteinase 13 (cluster #1 Of 4), Eukaryotic	Eukaryotes	5	0.42	Binding ≤ 10μM
MMP14-1-E	Matrix Metalloproteinase 14 (cluster #1 Of 3), Eukaryotic	Eukaryotes	5	0.42	Binding ≤ 10μM
MMP15-1-E	Matrix Metalloproteinase 15 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.41	Binding ≤ 10μM
MMP16-1-E	Matrix Metalloproteinase 16 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.40	Binding ≤ 10μM
MMP17-1-E	Matrix Metalloproteinase 17 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.43	Binding ≤ 10μM
MMP2-1-E	72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.41	Binding ≤ 10μM
MMP26-1-E	Matrix Metalloproteinase 26 (cluster #1 Of 1), Eukaryotic	Eukaryotes	17	0.39	Binding ≤ 10μM
MMP3-1-E	Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.41	Binding ≤ 10μM
MMP7-1-E	Matrix Metalloproteinase 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	33	0.37	Binding ≤ 10μM
MMP8-1-E	Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic	Eukaryotes	10	0.40	Binding ≤ 10μM
MMP9-2-E	Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic	Eukaryotes	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)	1.55	3.16	-20.09	5	8	0	123	388.468	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.55	4.38	-63.44	4	8	-1	126	387.46	9	↓ MOL2 SDF SMILES Flexibase

34801833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: SR-973 SR-973

Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-75803

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ADA17-1-E	ADAM17 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4	0.31	Binding ≤ 10μM
MMP1-2-E	Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	21	0.28	Binding ≤ 10μM
MMP10-1-E	Matrix Metalloproteinase 10 (cluster #1 Of 1), Eukaryotic	Eukaryotes	190	0.25	Binding ≤ 10μM
MMP13-1-E	Matrix Metalloproteinase 13 (cluster #1 Of 4), Eukaryotic	Eukaryotes	10	0.29	Binding ≤ 10μM
MMP14-1-E	Matrix Metalloproteinase 14 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1200	0.22	Binding ≤ 10μM
MMP2-1-E	72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.30	Binding ≤ 10μM
MMP7-1-E	Matrix Metalloproteinase 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	660	0.23	Binding ≤ 10μM
MMP9-2-E	Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic	Eukaryotes	5	0.31	Binding ≤ 10μM
A4-1-E	Beta Amyloid A4 Protein (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	0.25	Functional ≤ 10μM
Z80088-1-O	CHO (Ovarian Cells) (cluster #1 Of 4), Other	Other	200	0.25	Functional ≤ 10μM
Z80936-1-O	HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other	Other	500	0.23	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)	5.41	12.04	-28.44	3	8	0	108	523.674	12	↓ MOL2 SDF SMILES Flexibase

1544157

Analogs

11616941
11616943
27079413
43771549

Draw Identity 99% 90% 80% 70%

Popular Name: Marimastat Marimastat

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ADA17-1-E	ADAM17 (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.50	Binding ≤ 10μM
MMP1-2-E	Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	5	0.51	Binding ≤ 10μM
MMP1-2-E	Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	5	0.51	Binding ≤ 10μM
MMP13-1-E	Matrix Metalloproteinase 13 (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.51	Binding ≤ 10μM
MMP14-3-E	Matrix Metalloproteinase 14 (cluster #3 Of 3), Eukaryotic	Eukaryotes	2	0.53	Binding ≤ 10μM
MMP2-1-E	72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic	Eukaryotes	6	0.50	Binding ≤ 10μM
MMP2-1-E	72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic	Eukaryotes	6	0.50	Binding ≤ 10μM
MMP3-1-E	Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	84	0.43	Binding ≤ 10μM
MMP3-1-E	Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	200	0.41	Binding ≤ 10μM
MMP7-1-E	Matrix Metalloproteinase 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.51	Binding ≤ 10μM
MMP7-1-E	Matrix Metalloproteinase 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	20	0.47	Binding ≤ 10μM
MMP8-1-E	Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic	Eukaryotes	2	0.53	Binding ≤ 10μM
MMP8-1-E	Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic	Eukaryotes	2	0.53	Binding ≤ 10μM
MMP9-2-E	Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic	Eukaryotes	3	0.52	Binding ≤ 10μM
MMP9-2-E	Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic	Eukaryotes	8	0.49	Binding ≤ 10μM
ADA17-1-E	ADAM17 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.31	Functional ≤ 10μM
TNFA-2-E	TNF-alpha (cluster #2 Of 2), Eukaryotic	Eukaryotes	1001	0.37	Functional ≤ 10μM
Z50587-4-O	Homo Sapiens (cluster #4 Of 9), Other	Other	4100	0.33	Functional ≤ 10μM
Z80548-2-O	THP-1 (Acute Monocytic Leukemia Cells) (cluster #2 Of 5), Other	Other	2100	0.35	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)	0.38	0.45	-15.72	5	8	0	128	331.413	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.38	1.66	-56.16	4	8	-1	131	330.405	8	↓ MOL2 SDF SMILES Flexibase

3789788

Analogs

11616934

Draw Identity 99% 90% 80% 70%

Popular Name: Batimastat Batimastat

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ADA17-1-E	ADAM17 (cluster #1 Of 2), Eukaryotic	Eukaryotes	15	0.34	Binding ≤ 10μM
FCER2-1-E	Immunoglobulin Epsilon Fc Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	100	0.31	Binding ≤ 10μM
MMP1-2-E	Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	5	0.36	Binding ≤ 10μM
MMP13-1-E	Matrix Metalloproteinase 13 (cluster #1 Of 4), Eukaryotic	Eukaryotes	5	0.36	Binding ≤ 10μM
MMP14-1-E	Matrix Metalloproteinase 14 (cluster #1 Of 3), Eukaryotic	Eukaryotes	47	0.32	Binding ≤ 10μM
MMP2-1-E	72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic	Eukaryotes	4	0.37	Binding ≤ 10μM
MMP3-1-E	Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	20	0.34	Binding ≤ 10μM
MMP7-1-E	Matrix Metalloproteinase 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.36	Binding ≤ 10μM
MMP9-2-E	Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic	Eukaryotes	25	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)	3.50	-4.65	-17.84	4	7	0	107	477.652	12	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.69	-4.09	-61.6	3	7	-1	113	476.644	12	↓ MOL2 SDF SMILES Flexibase

836095

Analogs

600699

Draw Identity 99% 90% 80% 70%

Popular Name: DNC004103 DNC004103

Find On: PubMed — Wikipedia — Google

Vendors

Tractus
- TRA0036254

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MMP1-2-E	Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	7	0.37	Binding ≤ 10μM
MMP13-1-E	Matrix Metalloproteinase 13 (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	0.37	Binding ≤ 10μM
MMP2-1-E	72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.37	Binding ≤ 10μM
MMP3-1-E	Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	527	0.28	Binding ≤ 10μM
MMP8-1-E	Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	0.37	Binding ≤ 10μM
MMP9-2-E	Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic	Eukaryotes	7	0.37	Binding ≤ 10μM
Z50591-2-O	Bos Taurus (cluster #2 Of 2), Other	Other	100	0.32	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	-1.05	-17.22	2	9	0	110	436.553	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.07	-0.49	-66.15	1	9	-1	113	435.545	7	↓ MOL2 SDF SMILES Flexibase

3979014

Analogs

3871393
3871392

Draw Identity 99% 90% 80% 70%

Popular Name: ACTINONIN ACTINONIN

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DEF-1-B	Peptide Deformylase (cluster #1 Of 1), Bacterial	Bacteria	5	0.43	Binding ≤ 10μM
Q9JN24-1-B	Peptide Deformylase (cluster #1 Of 1), Bacterial	Bacteria	140	0.36	Binding ≤ 10μM
DEF1A-1-E	Peptide Deformylase 1A, Chloroplastic (cluster #1 Of 1), Eukaryotic	Eukaryotes	27	0.39	Binding ≤ 10μM
DEFM-1-E	Peptide Deformylase Mitochondrial (cluster #1 Of 2), Eukaryotic	Eukaryotes	600	0.32	Binding ≤ 10μM
ECE1-1-E	Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4000	0.28	Binding ≤ 10μM
MMP1-2-E	Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	300	0.34	Binding ≤ 10μM
MMP1-2-E	Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1100	0.31	Binding ≤ 10μM
MMP2-1-E	72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic	Eukaryotes	3000	0.29	Binding ≤ 10μM
MMP3-1-E	Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1700	0.30	Binding ≤ 10μM
MMP3-1-E	Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	6000	0.27	Binding ≤ 10μM
MMP8-1-E	Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic	Eukaryotes	190	0.35	Binding ≤ 10μM
MMP9-2-E	Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic	Eukaryotes	330	0.34	Binding ≤ 10μM
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	8200	0.26	Binding ≤ 10μM
Z50425-6-O	Plasmodium Falciparum (cluster #6 Of 22), Other	Other	2512	0.29	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.51	2.32	-16.44	4	8	0	119	385.505	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.51	3.4	-55.95	3	8	-1	122	384.497	11	↓ MOL2 SDF SMILES Flexibase

3960035

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Chemstep
- 68136

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MMP1-2-E	Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	500	0.74	Binding ≤ 10μM
MMP2-3-E	72 KDa Type IV Collagenase (cluster #3 Of 3), Eukaryotic	Eukaryotes	80	0.83	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)	0.10	-2.45	-127.32	1	5	-2	92	191.123	2	↓ MOL2 SDF SMILES Flexibase

3939175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: stat stat

Find On: PubMed — Wikipedia — Google

Vendors

BOC Sciences BB
- 259188-38-0

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MMP1-2-E	Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	25	0.31	Binding ≤ 10μM
MMP2-1-E	72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic	Eukaryotes	41	0.30	Binding ≤ 10μM
MMP3-1-E	Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	157	0.28	Binding ≤ 10μM
MMP9-2-E	Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic	Eukaryotes	25	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)	1.46	-2.77	-15.67	3	10	0	127	499.678	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.46	-3.73	-59.76	3	10	-1	127	498.67	11	↓ MOL2 SDF SMILES Flexibase

27079413

Analogs

1544157

Draw Identity 99% 90% 80% 70%

Popular Name: Marimastat Marimastat

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MMP1-2-E	Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	5	0.51	Binding ≤ 10μM
MMP2-1-E	72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic	Eukaryotes	6	0.50	Binding ≤ 10μM
MMP3-1-E	Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	200	0.41	Binding ≤ 10μM
MMP7-1-E	Matrix Metalloproteinase 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	20	0.47	Binding ≤ 10μM
MMP8-1-E	Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic	Eukaryotes	2	0.53	Binding ≤ 10μM
MMP9-2-E	Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic	Eukaryotes	3	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)	0.38	0.65	-22.37	5	8	0	128	331.413	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.38	1.88	-61.38	4	8	-1	131	330.405	8	↓ MOL2 SDF SMILES Flexibase

3871391

Analogs

3979014

Draw Identity 99% 90% 80% 70%

Popular Name: Actinonin Actinonin

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MMP1-2-E	Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	300	0.34	Binding ≤ 10μM
MMP3-1-E	Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1700	0.30	Binding ≤ 10μM
MMP8-1-E	Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic	Eukaryotes	190	0.35	Binding ≤ 10μM
MMP9-2-E	Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic	Eukaryotes	330	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)	1.52	2.49	-16.23	4	8	0	119	385.505	11	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = MMP1-2-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'MMP1-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=MMP1-2-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "target.name": "MMP1-2-E",        
        "target.type": "B10"        

    });
</script>