Crystallization (Comment) | Organism |
---|---|
molecular modeling of complex with inhibitor [5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol. The imidazo[1,2-a]pyridine ring is deeply buried inside the hydrophobic S4 site and makes hydrophobic contacts with the aromatic rings of Tyr99, Phe174, and Trp215 without the salt bridge with any amino acid residue in this site. The imidazo[1,2-a]pyridine ring extends across the face of the Phe174 phenyl ring with a favorable pi-pi stacking interaction | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
1-[5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-ethylpropan-2-ol | - |
Homo sapiens | |
1-[5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanol | - |
Homo sapiens | |
1-[5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]propan-2-ol | - |
Homo sapiens | |
2-[5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]propan-2-ol | - |
Homo sapiens | |
5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)-2-methylimidazo[1,2-a]pyridine | - |
Homo sapiens | |
5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)imidazo[1,2-a]pyridine | - |
Homo sapiens | |
[5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol | selective and orally bioavailable inhibitor | Homo sapiens | |
[5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol | good oral bioavailability after oral administration at a dose of 3 mg/kg in fasted monkeys. Pharmakokinetics study | Macaca fascicularis |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | - |
- |
- |
Macaca fascicularis | - |
- |
- |
Source Tissue | Comment | Organism | Textmining |
---|---|---|---|
commercial preparation | - |
Homo sapiens | - |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
Arg-Gly-Arg-4-nitroanilide + H2O | - |
Homo sapiens | Arg-Gly-Arg + 4-nitroaniline | - |
? | |
Arg-Gly-Arg-4-nitroanilide + H2O | - |
Macaca fascicularis | Arg-Gly-Arg + 4-nitroaniline | - |
? |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.000009 | - |
pH 8.3, 37°C | Homo sapiens | [5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol | |
0.000012 | - |
pH 8.3, 37°C | Homo sapiens | 5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)-2-methylimidazo[1,2-a]pyridine | |
0.000018 | - |
pH 8.3, 37°C | Homo sapiens | 1-[5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]propan-2-ol | |
0.000018 | - |
pH 8.3, 37°C | Homo sapiens | 2-[5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]propan-2-ol | |
0.00002 | - |
pH 8.3, 37°C | Homo sapiens | 1-[5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanol | |
0.000021 | - |
pH 8.3, 37°C | Homo sapiens | 5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)imidazo[1,2-a]pyridine | |
0.000022 | - |
pH 8.3, 37°C | Homo sapiens | 1-[5-(4-[3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl]piperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-ethylpropan-2-ol |