Fluorine in PDB 6fer: Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide

All present enzymatic activity of Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide:
2.7.10.1;

The structure of Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide, PDB code: 6fer was solved by M.Stihle, H.Richter, J.Benz, B.Kuhn, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.96 / 2.87
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.910, 155.790, 355.990, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 28.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide (pdb code 6fer). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 60 binding sites of Fluorine where determined in the Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide, PDB code: 6fer:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 60 in the Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:50.1 occ:1.00 F29 A:D6Q1001 0.0 50.1 1.0 C28 A:D6Q1001 1.3 46.1 1.0 F31 A:D6Q1001 2.1 47.1 1.0 F30 A:D6Q1001 2.1 44.3 1.0 C27 A:D6Q1001 2.4 46.5 1.0 N26 A:D6Q1001 2.9 55.4 1.0 CZ A:PHE753 3.4 65.4 1.0 CE1 A:PHE753 3.5 64.8 1.0 CD2 A:HIS755 3.5 46.5 1.0 CB A:ASP775 4.0 54.2 1.0 NE2 A:HIS755 4.0 51.1 1.0 C24 A:D6Q1001 4.1 54.9 1.0 OD2 A:ASP775 4.2 73.7 1.0 O A:ALA774 4.4 48.2 1.0 CG A:HIS755 4.6 47.0 1.0 CE2 A:PHE753 4.6 65.0 1.0 CD1 A:PHE753 4.6 62.6 1.0 CG A:ASP775 4.7 67.7 1.0 C A:ALA774 4.7 52.2 1.0 O25 A:D6Q1001 4.8 61.5 1.0 CD1 A:LEU679 4.9 41.9 1.0

Fluorine binding site 2 out of 60 in the Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:44.3 occ:1.00 F30 A:D6Q1001 0.0 44.3 1.0 C28 A:D6Q1001 1.3 46.1 1.0 F29 A:D6Q1001 2.1 50.1 1.0 F31 A:D6Q1001 2.2 47.1 1.0 C27 A:D6Q1001 2.3 46.5 1.0 N26 A:D6Q1001 2.5 55.4 1.0 C A:ALA774 2.8 52.2 1.0 O A:ALA774 2.8 48.2 1.0 C24 A:D6Q1001 3.1 54.9 1.0 CA A:ALA774 3.2 47.7 1.0 CB A:ASP775 3.2 54.2 1.0 N A:ASP775 3.3 53.9 1.0 O25 A:D6Q1001 3.5 61.5 1.0 NE2 A:HIS755 3.8 51.1 1.0 CA A:ASP775 3.9 53.1 1.0 N A:ALA774 3.9 71.0 1.0 CD2 A:HIS755 3.9 46.5 1.0 O A:ILE773 3.9 69.0 1.0 C23 A:D6Q1001 4.1 44.7 1.0 C A:ILE773 4.2 69.3 1.0 CG A:ASP775 4.4 67.7 1.0 CB A:ALA774 4.5 50.4 1.0 OD2 A:ASP775 4.6 73.7 1.0 O22 A:D6Q1001 4.6 55.3 1.0 CG2 A:ILE773 4.8 45.2 1.0

Fluorine binding site 3 out of 60 in the Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:47.1 occ:1.00 F31 A:D6Q1001 0.0 47.1 1.0 C28 A:D6Q1001 1.3 46.1 1.0 F29 A:D6Q1001 2.1 50.1 1.0 F30 A:D6Q1001 2.2 44.3 1.0 C27 A:D6Q1001 2.4 46.5 1.0 N26 A:D6Q1001 3.6 55.4 1.0 CG2 A:ILE684 3.7 48.7 1.0 O A:ILE773 3.8 69.0 1.0 CD2 A:HIS755 3.9 46.5 1.0 CD1 A:LEU748 4.2 44.6 1.0 CD1 A:LEU679 4.3 41.9 1.0 O A:ALA774 4.3 48.2 1.0 CD2 A:LEU748 4.3 41.8 1.0 CD1 A:ILE684 4.3 38.8 1.0 C A:ILE773 4.3 69.3 1.0 CG2 A:ILE773 4.4 45.2 1.0 C24 A:D6Q1001 4.4 54.9 1.0 NE2 A:HIS755 4.5 51.1 1.0 CE1 A:PHE753 4.5 64.8 1.0 O25 A:D6Q1001 4.5 61.5 1.0 C A:ALA774 4.5 52.2 1.0 CA A:ALA774 4.6 47.7 1.0 N A:ALA774 4.6 71.0 1.0 CB A:ILE773 4.7 44.4 1.0 CB A:ILE684 4.8 35.4 1.0 CZ A:PHE753 4.8 65.4 1.0 CG A:LEU748 4.9 41.7 1.0 CG1 A:ILE684 4.9 37.7 1.0

Fluorine binding site 4 out of 60 in the Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:38.2 occ:1.00 F36 A:D6Q1001 0.0 38.2 1.0 C35 A:D6Q1001 1.3 32.2 1.0 C18 A:D6Q1001 2.3 31.4 1.0 C34 A:D6Q1001 2.4 30.1 1.0 F37 A:D6Q1001 2.7 31.4 1.0 C15 A:D6Q1001 3.0 33.1 1.0 C16 A:D6Q1001 3.1 26.4 1.0 OG1 A:THR701 3.1 48.0 1.0 C14 A:D6Q1001 3.5 37.6 1.0 C19 A:D6Q1001 3.6 37.4 1.0 C33 A:D6Q1001 3.6 30.3 1.0 C32 A:D6Q1001 4.1 35.9 1.0 CB A:THR701 4.2 54.9 1.0 CB A:LYS655 4.2 32.9 1.0 C9 A:D6Q1001 4.3 57.9 1.0 C17 A:D6Q1001 4.4 45.1 1.0 C21 A:D6Q1001 4.4 44.3 1.0 C10 A:D6Q1001 4.6 51.0 1.0 N20 A:D6Q1001 4.6 44.4 1.0 N A:LYS655 4.6 36.4 1.0 N12 A:D6Q1001 4.6 50.1 1.0 CB A:ALA653 4.7 43.8 1.0 CG2 A:ILE685 4.7 30.2 1.0 C13 A:D6Q1001 4.7 40.4 1.0 O11 A:D6Q1001 4.8 60.2 1.0 O A:ALA653 4.9 54.3 1.0 C1 A:D6Q1001 4.9 51.6 1.0

Fluorine binding site 5 out of 60 in the Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:31.4 occ:1.00 F37 A:D6Q1001 0.0 31.4 1.0 C34 A:D6Q1001 1.3 30.1 1.0 C33 A:D6Q1001 2.3 30.3 1.0 C35 A:D6Q1001 2.4 32.2 1.0 F36 A:D6Q1001 2.7 38.2 1.0 OG1 A:THR701 3.0 48.0 1.0 CB A:MET699 3.3 50.8 1.0 C A:MET699 3.6 63.5 1.0 C18 A:D6Q1001 3.6 31.4 1.0 C32 A:D6Q1001 3.6 35.9 1.0 O A:MET699 3.7 78.3 1.0 CB A:LYS655 3.8 32.9 1.0 N A:ILE700 3.8 61.6 1.0 C A:ILE700 4.0 56.6 1.0 C19 A:D6Q1001 4.1 37.4 1.0 CA A:MET699 4.1 51.5 1.0 N A:LYS655 4.1 36.4 1.0 O A:ILE700 4.2 46.8 1.0 CA A:ILE700 4.3 55.2 1.0 N A:THR701 4.3 68.0 1.0 CB A:THR701 4.4 54.9 1.0 CD1 A:LEU687 4.5 46.0 1.0 CG A:MET699 4.5 51.0 1.0 SD A:MET699 4.5 62.6 1.0 CA A:LYS655 4.6 47.3 1.0 CE A:MET699 4.6 52.5 1.0 CD A:LYS655 4.7 33.3 1.0 O A:ALA653 4.8 54.3 1.0 CG A:LYS655 4.9 34.2 1.0 CA A:THR701 5.0 47.8 1.0 C15 A:D6Q1001 5.0 33.1 1.0 N A:MET699 5.0 53.8 1.0

Fluorine binding site 6 out of 60 in the Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ B:F1001 b:48.1 occ:1.00 F29 B:D6Q1001 0.0 48.1 1.0 C28 B:D6Q1001 1.3 41.3 1.0 F31 B:D6Q1001 2.1 46.3 1.0 F30 B:D6Q1001 2.2 37.6 1.0 C27 B:D6Q1001 2.5 32.2 1.0 N26 B:D6Q1001 2.9 51.1 1.0 CE2 B:PHE753 3.5 38.2 1.0 CD2 B:HIS755 3.6 39.4 1.0 NE2 B:HIS755 3.6 39.1 1.0 CB B:ASP775 3.8 39.7 1.0 C24 B:D6Q1001 3.9 56.0 1.0 CZ B:PHE753 4.1 54.1 1.0 O25 B:D6Q1001 4.3 60.7 1.0 OD2 B:ASP775 4.4 36.8 1.0 CG B:HIS755 4.5 37.4 1.0 CE1 B:HIS755 4.5 41.1 1.0 CG B:ASP775 4.5 45.7 1.0 CD2 B:PHE753 4.5 56.8 1.0 C B:ALA774 4.7 40.6 1.0 N B:ASP775 4.7 45.3 1.0 O B:ALA774 4.7 34.6 1.0 CA B:ASP775 4.8 44.5 1.0 C23 B:D6Q1001 4.9 45.3 1.0 ND1 B:HIS755 4.9 33.7 1.0

Fluorine binding site 7 out of 60 in the Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ B:F1001 b:37.6 occ:1.00 F30 B:D6Q1001 0.0 37.6 1.0 C28 B:D6Q1001 1.3 41.3 1.0 F31 B:D6Q1001 2.1 46.3 1.0 F29 B:D6Q1001 2.2 48.1 1.0 C27 B:D6Q1001 2.4 32.2 1.0 N26 B:D6Q1001 2.9 51.1 1.0 O25 B:D6Q1001 3.0 60.7 1.0 C B:ALA774 3.1 40.6 1.0 C24 B:D6Q1001 3.1 56.0 1.0 CA B:ALA774 3.2 44.6 1.0 O B:ALA774 3.4 34.6 1.0 NE2 B:HIS755 3.5 39.1 1.0 O B:ILE773 3.5 39.1 1.0 N B:ASP775 3.5 45.3 1.0 N B:ALA774 3.8 50.0 1.0 C B:ILE773 3.9 46.8 1.0 CB B:ASP775 3.9 39.7 1.0 CD2 B:HIS755 3.9 39.4 1.0 CG2 B:ILE773 4.3 33.8 1.0 CA B:ASP775 4.3 44.5 1.0 C23 B:D6Q1001 4.4 45.3 1.0 CB B:ALA774 4.5 47.6 1.0 CE1 B:HIS755 4.6 41.1 1.0 CB B:ILE773 4.8 34.2 1.0 CA B:ILE773 5.0 34.7 1.0

Fluorine binding site 8 out of 60 in the Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ B:F1001 b:46.3 occ:1.00 F31 B:D6Q1001 0.0 46.3 1.0 C28 B:D6Q1001 1.3 41.3 1.0 F29 B:D6Q1001 2.1 48.1 1.0 F30 B:D6Q1001 2.1 37.6 1.0 C27 B:D6Q1001 2.4 32.2 1.0 CD2 B:LEU748 3.5 37.0 1.0 N26 B:D6Q1001 3.6 51.1 1.0 CD2 B:HIS755 3.8 39.4 1.0 CE2 B:PHE753 3.9 38.2 1.0 CD1 B:LEU748 4.0 35.0 1.0 NE2 B:HIS755 4.1 39.1 1.0 CG2 B:ILE684 4.2 36.4 1.0 CD1 B:LEU679 4.3 46.7 1.0 CG B:LEU748 4.3 40.8 1.0 O25 B:D6Q1001 4.4 60.7 1.0 CD2 B:PHE753 4.5 56.8 1.0 C24 B:D6Q1001 4.5 56.0 1.0 O B:ILE773 4.5 39.1 1.0 CD1 B:ILE684 4.6 47.4 1.0 CZ B:PHE753 4.7 54.1 1.0 CG2 B:ILE773 4.8 33.8 1.0 CG B:HIS755 5.0 37.4 1.0

Fluorine binding site 9 out of 60 in the Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ B:F1001 b:40.0 occ:1.00 F36 B:D6Q1001 0.0 40.0 1.0 C35 B:D6Q1001 1.3 30.8 1.0 C18 B:D6Q1001 2.3 30.4 1.0 C34 B:D6Q1001 2.3 34.3 1.0 F37 B:D6Q1001 2.7 37.8 1.0 C15 B:D6Q1001 2.9 36.9 1.0 C16 B:D6Q1001 3.1 33.8 1.0 C14 B:D6Q1001 3.1 42.8 1.0 OG1 B:THR701 3.4 53.7 1.0 C19 B:D6Q1001 3.6 34.9 1.0 C33 B:D6Q1001 3.6 26.6 1.0 CB B:LYS655 3.9 67.5 1.0 C32 B:D6Q1001 4.1 28.2 1.0 CB B:THR701 4.2 55.3 1.0 C17 B:D6Q1001 4.4 42.2 1.0 C13 B:D6Q1001 4.4 51.1 1.0 C21 B:D6Q1001 4.4 43.8 1.0 N12 B:D6Q1001 4.5 46.7 1.0 O B:MET699 4.6 74.5 1.0 N20 B:D6Q1001 4.6 43.2 1.0 N B:LYS655 4.7 68.0 1.0 CG2 B:THR701 4.7 44.1 1.0 CD B:LYS655 4.7 49.5 1.0 CG2 B:VAL624 4.8 75.6 1.0 CA B:LYS655 4.8 72.5 1.0 C9 B:D6Q1001 4.9 52.6 1.0 CG2 B:ILE685 4.9 44.0 1.0 CG B:LYS655 5.0 56.4 1.0

Fluorine binding site 10 out of 60 in the Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Human DDR2 Kinase in Complex with 2-[4,5- Difluoro-2-Oxo-1'-(1H-Pyrazolo[3,4-B]Pyridine-5-Carbonyl) Spiro[Indole-3,4'-Piperidine]-1-Yl]-N-(2,2,2-Trifluoroethyl)Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ B:F1001 b:37.8 occ:1.00 F37 B:D6Q1001 0.0 37.8 1.0 C34 B:D6Q1001 1.3 34.3 1.0 C35 B:D6Q1001 2.4 30.8 1.0 C33 B:D6Q1001 2.4 26.6 1.0 F36 B:D6Q1001 2.7 40.0 1.0 O B:MET699 2.9 74.5 1.0 CB B:MET699 3.0 51.6 1.0 OG1 B:THR701 3.1 53.7 1.0 C B:MET699 3.5 61.8 1.0 C18 B:D6Q1001 3.6 30.4 1.0 CB B:LYS655 3.6 67.5 1.0 C32 B:D6Q1001 3.7 28.2 1.0 CA B:MET699 3.8 58.4 1.0 CE B:MET699 4.1 69.3 1.0 SD B:MET699 4.1 51.8 1.0 C19 B:D6Q1001 4.1 34.9 1.0 CG B:MET699 4.1 50.5 1.0 N B:LYS655 4.3 68.0 1.0 N B:ILE700 4.4 54.8 1.0 CB B:THR701 4.5 55.3 1.0 CD B:LYS655 4.6 49.5 1.0 CA B:LYS655 4.6 72.5 1.0 CG B:LYS655 4.6 56.4 1.0 O B:ILE700 4.6 54.3 1.0 C B:ILE700 4.7 52.5 1.0 N B:MET699 4.7 64.2 1.0 CD1 B:LEU687 4.8 65.0 1.0 C15 B:D6Q1001 4.9 36.9 1.0 CA B:ILE700 5.0 50.8 1.0

H.Richter, A.L.Satz, M.Bedoucha, B.Buettelmann, A.C.Petersen, A.Harmeier, R.Hermosilla, R.Hochstrasser, D.Burger, B.Gsell, R.Gasser, S.Huber, M.N.Hug, B.Kocer, B.Kuhn, M.Ritter, M.G.Rudolph, F.Weibel, J.Molina-David, J.J.Kim, J.V.Santos, M.Stihle, G.J.Georges, R.D.Bonfil, R.Fridman, S.Uhles, S.Moll, C.Faul, A.Fornoni, M.Prunotto. Dna-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in A Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol. V. 14 37 2019.
ISSN: ESSN 1554-8937
PubMed: 30452219
DOI: 10.1021/ACSCHEMBIO.8B00866