Browse ITC data
For a full dataset and details of experiment click on the datum link or any thermodynamic datum in the table below.
| Datum | Protein | Ligand | ΔG (kJ/mol) | ΔH (kJ/mol) | TΔS (kJ/mol) | KD (µM) | ΔCp (J/mol) |
|---|
| Link |
Integrin Alpha-L
|
1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine
![1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine diagram](/ligand_diagrams/17.png)
1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine
|
-44.9
|
-32.22
|
12.68
|
0.02
|
|
| Link |
Trypsin
|
N-alpha-(2-naphthylsulfonyl)-n-(3-amidino-l-phenylalaninyl)-d-pipecolinic acid-variant-1a
N-alpha-(2-naphthylsulfonyl)-n-(3-amidino-l-phenylalaninyl)-d-pipecolinic acid-variant-1a
|
-42.5
|
-27.1
|
15.4
|
0.04
|
|
| Link |
Trypsin
|
N-alpha-(2-naphthylsulfonyl)-n-(3-amidino-l-phenylalaninyl)-d-pipecolinic acid
N-alpha-(2-naphthylsulfonyl)-n-(3-amidino-l-phenylalaninyl)-d-pipecolinic acid
|
-36.4
|
-20.6
|
15.8
|
0.41
|
-2.59
|
| Link |
Trypsin
|
N-alpha-(2-naphthylsulfonyl)-n-(3-amidino-l-phenylalaninyl)-d-pipecolinic acid-variant-1bme
N-alpha-(2-naphthylsulfonyl)-n-(3-amidino-l-phenylalaninyl)-d-pipecolinic acid-variant-1bme
|
-37.0
|
-16.9
|
20.6
|
0.32
|
-2.79
|
| Link |
Trypsin
|
N-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)isopipecolinic acid methyl ester-variant-1c
N-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)isopipecolinic acid methyl ester-variant-1c
|
-35.5
|
-26.8
|
8.7
|
0.6
|
-2.26
|
| Link |
Trypsin
|
N-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)isopipecolinic acid methyl ester
N-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)isopipecolinic acid methyl ester
|
-43.6
|
-39.6
|
4.0
|
0.02
|
-2.6
|
| Link |
Trypsin
|
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide
|
-40.8
|
-32.9
|
7.9
|
0.07
|
-2.2
|
| Link |
Trypsin
|
N-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)-4-acetyl-piperazine
N-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)-4-acetyl-piperazine
|
-42.6
|
-34.4
|
8.2
|
0.03
|
-2.56
|
| Link |
Trypsin
|
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide-version-2
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide-version-2
|
-32.0
|
-4.4
|
27.6
|
2.5
|
-0.91
|
| Link |
Trypsin
|
[N-[n-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine
![[N-[n-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine diagram](/ligand_diagrams/22.png)
[N-[n-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine
|
-38.3
|
-24.7
|
10.6
|
0.19
|
-1.2
|
| Link |
Thrombin Heavy Chain, Residues 364-622
|
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide-version-2
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide-version-2
|
-52.2
|
-48.7
|
3.5
|
0.0
|
|
| Link |
Alpha-Thrombin
|
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide-version-2et
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide-version-2et
|
-40.3
|
-24.4
|
15.9
|
0.09
|
|
| Link |
Alpha-Thrombin
|
[N-[n-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine
[N-[n-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine
|
-49.2
|
-48.5
|
0.7
|
0.0
|
|
| Link |
Alpha-Thrombin
|
{[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid
![{[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid diagram](/ligand_diagrams/23.png)
{[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid
|
-47.8
|
-57.8
|
-10.0
|
0.0
|
|
| Link |
Alpha-Thrombin
|
[((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid
![[((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid diagram](/ligand_diagrams/24.png)
[((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid
|
-47.9
|
-37.0
|
10.9
|
0.0
|
|
| Link |
Alpha-Thrombin
|
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide-version-2
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide-version-2
|
|
|
|
|
-2.31
|
| Link |
Alpha-Thrombin
|
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide-version-2
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide-version-2
|
|
|
|
|
-3.14
|
| Link |
Alpha-Thrombin
|
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide-version-2et
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide-version-2et
|
|
|
|
|
-2.07
|
| Link |
Alpha-Thrombin
|
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide-version-2et
N-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide-version-2et
|
|
|
|
|
-2.51
|
| Link |
Alpha-Thrombin
|
[N-[n-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine
[N-[n-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine
|
|
|
|
|
-2.77
|
