Cloned (Comment) | Organism |
---|---|
a fragment of human MMP-13 corresponding to residues 104-274 is expressed in Escherichia coli BL21(DE3) cells | Homo sapiens |
Crystallization (Comment) | Organism |
---|---|
hanging drop vapor diffusion method, using 10% (w/v) PEG4000, 1 M ammonium formate, and 100 mM Tris, pH 8.0 | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(4-[[([5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl]carbonyl)amino]methyl]phenyl)acetic acid | - |
Homo sapiens | |
2-butanoyl-1H-indole-5-carboxamide | - |
Homo sapiens | |
4-[([[5-(1H-indol-5-yl)-1-methyl-1H-pyrazol-3-yl]carbonyl]amino)methyl]benzoic acid | - |
Homo sapiens | |
4-[[([5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl]carbonyl)amino]methyl]benzoic acid | - |
Homo sapiens | |
4-[[([5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl]carbonyl)amino]methyl]benzoic acid | - |
Homo sapiens | |
5-[3-[(4-carboxybenzyl)carbamoyl]-1-methyl-1H-pyrazol-5-yl]-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-carboxylate | - |
Homo sapiens | |
ethyl 5-(1-methyl-3-[[(6-oxo-1,6-dihydropyridin-3-yl)methyl]carbamoyl]-1H-pyrazol-5-yl)-1H-indole-2-carboxylate | - |
Homo sapiens | |
ethyl 5-(3-methylpyridin-4-yl)-1H-indole-2-carboxylate | - |
Homo sapiens | |
ethyl 5-(acetylamino)-1H-indole-2-carboxylate | - |
Homo sapiens | |
ethyl 5-(pyridin-2-yl)-1H-indole-2-carboxylate | - |
Homo sapiens | |
ethyl 5-(pyridin-3-yl)-1H-indole-2-carboxylate | - |
Homo sapiens | |
ethyl 5-(pyridin-4-yl)-1H-indole-2-carboxylate | - |
Homo sapiens | |
ethyl 5-carbamoyl-1H-indole-2-carboxylate | - |
Homo sapiens | |
ethyl 5-phenyl-1H-indole-2-carboxylate | - |
Homo sapiens | |
ethyl 5-[(methylsulfonyl)amino]-1H-indole-2-carboxylate | - |
Homo sapiens | |
ethyl 5-[1-methyl-3-[(pyridin-4-ylmethyl)carbamoyl]-1H-pyrazol-5-yl]-1H-indole-2-carboxylate | - |
Homo sapiens | |
ethyl 5-[3-(methoxycarbonyl)-1-methyl-1H-pyrazol-5-yl]-1H-indole-2-carboxylate | - |
Homo sapiens | |
ethyl 5-[5-methyl-2-[(pyridin-4-ylmethyl)carbamoyl]pyridin-4-yl]-1H-indole-2-carboxylate | - |
Homo sapiens | |
N-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]acetamide | - |
Homo sapiens | |
N2-ethyl-1H-indole-2,5-dicarboxamide | - |
Homo sapiens |
Metals/Ions | Comment | Organism | Structure |
---|---|---|---|
Ca2+ | dependent on | Homo sapiens | |
Zn2+ | dependent on | Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
collagen type II + H2O | Homo sapiens | - |
? | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | - |
- |
- |
Purification (Comment) | Organism |
---|---|
SP Sepharose column chromatography and Superdex 75 gel filtration | Homo sapiens |
Renatured (Comment) | Organism |
---|---|
in 50 mM MES, pH 6.5, 500 mM NaCl, 10 mM CaCl2, 1.0 mM ZnCl2, and decreasing concentrations of urea (4-0 M) | Homo sapiens |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
collagen type II + H2O | - |
Homo sapiens | ? | - |
? | |
GABA-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 + H2O | - |
Homo sapiens | ? | - |
? |
Synonyms | Comment | Organism |
---|---|---|
MMP-13 | - |
Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.000001 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | 4-[[([5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl]carbonyl)amino]methyl]benzoic acid | |
0.000003 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | (4-[[([5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl]carbonyl)amino]methyl]phenyl)acetic acid | |
0.00009 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | ethyl 5-[1-methyl-3-[(pyridin-4-ylmethyl)carbamoyl]-1H-pyrazol-5-yl]-1H-indole-2-carboxylate | |
0.00012 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | ethyl 5-(1-methyl-3-[[(6-oxo-1,6-dihydropyridin-3-yl)methyl]carbamoyl]-1H-pyrazol-5-yl)-1H-indole-2-carboxylate | |
0.00015 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | ethyl 5-[5-methyl-2-[(pyridin-4-ylmethyl)carbamoyl]pyridin-4-yl]-1H-indole-2-carboxylate | |
0.00025 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | 4-[[([5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl]carbonyl)amino]methyl]benzoic acid | |
0.0024 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | ethyl 5-[3-(methoxycarbonyl)-1-methyl-1H-pyrazol-5-yl]-1H-indole-2-carboxylate | |
0.0025 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-carboxylate | |
0.0096 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | ethyl 5-(3-methylpyridin-4-yl)-1H-indole-2-carboxylate | |
0.015 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | ethyl 5-(pyridin-3-yl)-1H-indole-2-carboxylate | |
0.025 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | 5-[3-[(4-carboxybenzyl)carbamoyl]-1-methyl-1H-pyrazol-5-yl]-1H-indole-2-carboxylic acid | |
0.026 | - |
IC50 above 0.026 mM; in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | 4-[([[5-(1H-indol-5-yl)-1-methyl-1H-pyrazol-3-yl]carbonyl]amino)methyl]benzoic acid | |
0.031 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | ethyl 5-(acetylamino)-1H-indole-2-carboxylate | |
0.039 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | ethyl 5-carbamoyl-1H-indole-2-carboxylate | |
0.082 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | ethyl 5-(pyridin-4-yl)-1H-indole-2-carboxylate | |
0.097 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | ethyl 5-[(methylsulfonyl)amino]-1H-indole-2-carboxylate | |
0.22 | - |
in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | N-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]acetamide | |
0.5 | - |
IC50 above 0.5 mM, in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | 2-butanoyl-1H-indole-5-carboxamide | |
0.5 | - |
IC50 above 0.5 mM, in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | N2-ethyl-1H-indole-2,5-dicarboxamide | |
0.5 | - |
IC50 above 0.5 mM, in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | ethyl 5-phenyl-1H-indole-2-carboxylate | |
0.5 | - |
IC50 above 0.5 mM, in 100 mM Tris-HCl, pH 7.5, 100 mM NaCl, 10 mM CaCl2, and 0.05% (v/v) Brij 35, and 1% (v/v) DMSO, at 28°C | Homo sapiens | ethyl 5-(pyridin-2-yl)-1H-indole-2-carboxylate |