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Fluorine in PDB 4bmm: Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide

Enzymatic activity of Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide

All present enzymatic activity of Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide:
1.14.13.70;

Protein crystallography data

The structure of Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide, PDB code: 4bmm was solved by J.Y.Choi, C.M.Calvet, S.S.Gunatilleke, W.R.Roush, J.H.Mckerrow, L.M.Podust, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 114.63 / 2.84
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 272.469, 66.452, 122.219, 90.00, 110.65, 90.00
R / Rfree (%) 18.908 / 29.005

Other elements in 4bmm:

The structure of Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide (pdb code 4bmm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide, PDB code: 4bmm:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 4bmm

Go back to Fluorine Binding Sites List in 4bmm
Fluorine binding site 1 out of 12 in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide


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 Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1460

b:99.4
occ:1.00
F2 A:TU11460 0.0 99.4 1.0
C17 A:TU11460 1.3 81.1 1.0
C18 A:TU11460 2.4 73.6 1.0
C16 A:TU11460 2.4 77.8 1.0
CD C:PRO222 2.9 81.4 1.0
CG C:PRO222 3.2 82.2 1.0
C13 A:TU11460 3.6 66.0 1.0
C15 A:TU11460 3.6 73.5 1.0
O A:PRO210 3.8 88.9 1.0
CB C:PRO222 3.9 80.6 1.0
N C:PRO222 4.0 80.2 1.0
C14 A:TU11460 4.1 70.5 1.0
CB C:LEU221 4.3 77.8 1.0
CE2 A:PHE214 4.3 86.7 1.0
CE2 A:PHE48 4.6 67.1 1.0
CA C:PRO222 4.7 78.5 1.0
CD1 C:LEU221 4.7 84.0 1.0
C A:PRO210 4.8 75.3 1.0
CB A:PRO210 4.8 70.2 1.0
C12 A:TU11460 4.8 57.9 1.0
CG C:LEU221 4.9 80.0 1.0
C C:LEU221 5.0 79.1 1.0

Fluorine binding site 2 out of 12 in 4bmm

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Fluorine binding site 2 out of 12 in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide


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 Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1460

b:59.0
occ:1.00
F3 A:TU11460 0.0 59.0 1.0
C20 A:TU11460 1.3 57.2 1.0
C19 A:TU11460 2.4 58.5 1.0
C9 A:TU11460 2.4 56.5 1.0
N3 A:TU11460 2.9 53.7 1.0
C8 A:TU11460 3.0 56.8 1.0
C12 A:TU11460 3.6 57.9 1.0
C10 A:TU11460 3.7 56.5 1.0
C23 A:TU11460 4.0 56.5 1.0
O1 A:TU11460 4.1 61.5 1.0
C11 A:TU11460 4.1 55.5 1.0
C7 A:TU11460 4.2 54.1 1.0
C21 A:TU11460 4.5 53.9 1.0
C22 A:TU11460 4.6 55.6 1.0
CD1 A:ILE105 4.7 70.3 1.0
CE1 A:TYR103 4.7 88.3 1.0
CZ A:TYR103 4.8 89.3 1.0
CD1 A:TYR103 4.8 84.6 1.0
C13 A:TU11460 4.9 66.0 1.0
CE2 A:TYR103 4.9 95.8 1.0
CG A:TYR103 5.0 82.2 1.0

Fluorine binding site 3 out of 12 in 4bmm

Go back to Fluorine Binding Sites List in 4bmm
Fluorine binding site 3 out of 12 in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide


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 Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1460

b:76.1
occ:1.00
F1 A:TU11460 0.0 76.1 1.0
C14 A:TU11460 1.3 70.5 1.0
C15 A:TU11460 2.4 73.5 1.0
C13 A:TU11460 2.5 66.0 1.0
O A:MET358 2.8 55.2 1.0
SD A:MET360 2.9 64.5 1.0
C12 A:TU11460 3.0 57.9 1.0
C19 A:TU11460 3.2 58.5 1.0
CG A:MET360 3.4 57.6 1.0
C16 A:TU11460 3.6 77.8 1.0
C18 A:TU11460 3.7 73.6 1.0
C A:MET358 3.8 51.2 1.0
CB A:MET358 3.9 52.1 1.0
CE A:MET360 4.0 65.8 1.0
C11 A:TU11460 4.1 55.5 1.0
C17 A:TU11460 4.1 81.1 1.0
CA A:MET358 4.4 51.3 1.0
C20 A:TU11460 4.4 57.2 1.0
SD A:MET358 4.6 59.4 1.0
CG A:MET358 4.8 55.0 1.0
N A:MET358 4.9 50.4 1.0
CB A:MET360 4.9 56.7 1.0
N A:VAL359 4.9 51.5 1.0

Fluorine binding site 4 out of 12 in 4bmm

Go back to Fluorine Binding Sites List in 4bmm
Fluorine binding site 4 out of 12 in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide


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 Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1460

b:83.9
occ:1.00
F2 B:TU11460 0.0 83.9 1.0
C17 B:TU11460 1.3 81.5 1.0
C16 B:TU11460 2.3 78.6 1.0
C18 B:TU11460 2.4 81.6 1.0
CZ B:PHE214 3.0 96.0 1.0
CE1 B:PHE214 3.0 91.4 1.0
O B:PRO210 3.6 83.1 1.0
C15 B:TU11460 3.6 85.8 1.0
C13 B:TU11460 3.7 77.7 1.0
CD D:PRO222 4.0 78.1 1.0
CG D:PRO222 4.0 81.0 1.0
C14 B:TU11460 4.1 92.1 1.0
CE2 B:PHE214 4.3 95.2 1.0
C B:PRO210 4.3 78.7 1.0
CD1 B:PHE214 4.4 89.4 1.0
CB B:PRO210 4.6 78.0 1.0
CB D:LEU221 4.7 70.3 1.0
CA B:ALA211 4.7 80.5 1.0
CG D:LEU221 4.7 68.0 1.0
N B:ALA211 4.8 76.7 1.0
C12 B:TU11460 4.9 67.2 1.0

Fluorine binding site 5 out of 12 in 4bmm

Go back to Fluorine Binding Sites List in 4bmm
Fluorine binding site 5 out of 12 in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide


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 Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1460

b:69.1
occ:1.00
F3 B:TU11460 0.0 69.1 1.0
C20 B:TU11460 1.4 69.0 1.0
C19 B:TU11460 2.4 67.7 1.0
C9 B:TU11460 2.4 67.8 1.0
N3 B:TU11460 2.9 66.8 1.0
C8 B:TU11460 3.0 67.8 1.0
C12 B:TU11460 3.7 67.2 1.0
C10 B:TU11460 3.7 64.9 1.0
O1 B:TU11460 4.0 70.2 1.0
C21 B:TU11460 4.0 71.0 1.0
CD1 B:ILE105 4.1 0.8 1.0
C7 B:TU11460 4.1 68.3 1.0
C11 B:TU11460 4.1 67.4 1.0
C23 B:TU11460 4.2 74.9 1.0
C22 B:TU11460 4.4 71.2 1.0
CE B:MET460 4.5 66.6 1.0
CD1 B:TYR103 4.5 83.2 1.0
CG1 B:ILE105 4.6 0.7 1.0
CE1 B:TYR103 4.7 80.9 1.0
CG2 B:VAL213 4.7 98.9 1.0
SD B:MET106 5.0 73.2 1.0
C13 B:TU11460 5.0 77.7 1.0

Fluorine binding site 6 out of 12 in 4bmm

Go back to Fluorine Binding Sites List in 4bmm
Fluorine binding site 6 out of 12 in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide


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 Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1460

b:0.7
occ:1.00
F1 B:TU11460 0.0 0.7 1.0
C14 B:TU11460 1.4 92.1 1.0
C15 B:TU11460 2.4 85.8 1.0
C13 B:TU11460 2.5 77.7 1.0
C11 B:TU11460 2.8 67.4 1.0
C12 B:TU11460 2.9 67.2 1.0
C16 B:TU11460 3.6 78.6 1.0
N B:MET358 3.7 62.8 1.0
C18 B:TU11460 3.7 81.6 1.0
N B:LEU357 3.9 59.3 1.0
C10 B:TU11460 3.9 64.9 1.0
CB B:LEU357 4.0 59.0 1.0
O B:MET460 4.0 57.4 1.0
C19 B:TU11460 4.1 67.7 1.0
C17 B:TU11460 4.2 81.5 1.0
CB B:MET358 4.2 66.8 1.0
CG B:LEU357 4.2 58.9 1.0
O B:MET358 4.3 67.6 1.0
CA B:LEU357 4.4 59.7 1.0
CA B:MET358 4.5 62.3 1.0
C B:LEU357 4.5 62.0 1.0
CD1 B:LEU357 4.8 59.9 1.0
C9 B:TU11460 4.9 67.8 1.0
C B:LEU356 4.9 57.1 1.0
C B:MET358 4.9 65.6 1.0
C20 B:TU11460 4.9 69.0 1.0

Fluorine binding site 7 out of 12 in 4bmm

Go back to Fluorine Binding Sites List in 4bmm
Fluorine binding site 7 out of 12 in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide


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 Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1460

b:0.6
occ:1.00
F2 C:TU11460 0.0 0.6 1.0
C17 C:TU11460 1.4 93.8 1.0
C18 C:TU11460 2.4 83.5 1.0
C16 C:TU11460 2.4 91.2 1.0
C13 C:TU11460 3.7 76.2 1.0
C15 C:TU11460 3.7 80.2 1.0
C14 C:TU11460 4.2 77.4 1.0
CE1 C:PHE48 4.6 85.9 1.0
CD1 C:LEU357 4.8 62.4 1.0
C12 C:TU11460 4.8 66.6 1.0
O C:MET460 4.9 65.2 1.0
C11 C:TU11460 4.9 67.6 1.0
CA C:MET460 4.9 72.6 1.0

Fluorine binding site 8 out of 12 in 4bmm

Go back to Fluorine Binding Sites List in 4bmm
Fluorine binding site 8 out of 12 in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide


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 Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1460

b:61.4
occ:1.00
F3 C:TU11460 0.0 61.4 1.0
C20 C:TU11460 1.3 63.3 1.0
C19 C:TU11460 2.4 64.5 1.0
C9 C:TU11460 2.5 62.8 1.0
N3 C:TU11460 2.9 61.8 1.0
C8 C:TU11460 3.0 61.6 1.0
C23 C:TU11460 3.6 62.5 1.0
C12 C:TU11460 3.7 66.6 1.0
C10 C:TU11460 3.7 65.5 1.0
C11 C:TU11460 4.1 67.6 1.0
O1 C:TU11460 4.1 60.6 1.0
C7 C:TU11460 4.2 61.8 1.0
C22 C:TU11460 4.4 62.8 1.0
C21 C:TU11460 4.4 62.1 1.0
CE C:MET460 4.5 83.7 1.0
CG2 C:VAL213 4.6 98.8 1.0
N4 C:TU11460 4.7 63.3 1.0
CE2 C:TYR103 4.7 83.2 1.0
CZ C:TYR103 4.7 86.9 1.0
CG C:MET106 4.9 75.0 1.0
OH C:TYR103 4.9 89.9 1.0
CD1 C:ILE105 5.0 83.6 1.0
C13 C:TU11460 5.0 76.2 1.0
CD2 C:TYR103 5.0 77.2 1.0

Fluorine binding site 9 out of 12 in 4bmm

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Fluorine binding site 9 out of 12 in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide


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 Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1460

b:73.5
occ:1.00
F1 C:TU11460 0.0 73.5 1.0
C14 C:TU11460 1.4 77.4 1.0
C15 C:TU11460 2.4 80.2 1.0
C13 C:TU11460 2.5 76.2 1.0
C12 C:TU11460 3.1 66.6 1.0
CG C:MET360 3.3 69.7 1.0
CG1 C:VAL213 3.4 95.2 1.0
C19 C:TU11460 3.4 64.5 1.0
C16 C:TU11460 3.7 91.2 1.0
SD C:MET360 3.7 81.6 1.0
C18 C:TU11460 3.7 83.5 1.0
O C:MET358 3.9 64.7 1.0
C17 C:TU11460 4.2 93.8 1.0
CB C:MET358 4.2 61.6 1.0
CE C:MET360 4.3 81.8 1.0
C11 C:TU11460 4.3 67.6 1.0
CG C:MET358 4.4 65.1 1.0
CB C:VAL213 4.4 97.6 1.0
C C:MET358 4.4 60.6 1.0
C20 C:TU11460 4.6 63.3 1.0
CB C:MET360 4.8 66.3 1.0
CG2 C:VAL213 4.9 98.8 1.0
CA C:MET358 5.0 60.8 1.0

Fluorine binding site 10 out of 12 in 4bmm

Go back to Fluorine Binding Sites List in 4bmm
Fluorine binding site 10 out of 12 in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide


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 Trypanosoma Cruzi CYP51 Bound to the Inhibitor (R)-N-(3-(1H-Indol-3-Yl)-1-Oxo-1-(Pyridin-4- Ylamino)Propan-2-Yl)- 2',3,5'-Trifluoro-(1,1'-Biphenyl)-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F1460

b:82.8
occ:1.00
F2 D:TU11460 0.0 82.8 1.0
C17 D:TU11460 1.3 72.4 1.0
C16 D:TU11460 2.3 65.6 1.0
C18 D:TU11460 2.4 67.3 1.0
C15 D:TU11460 3.6 63.1 1.0
C13 D:TU11460 3.6 65.5 1.0
CZ D:PHE48 3.8 74.6 1.0
CE2 D:PHE48 3.8 75.5 1.0
C14 D:TU11460 4.1 65.5 1.0
CE2 D:PHE214 4.4 78.1 1.0
CZ D:PHE214 4.7 78.5 1.0
C12 D:TU11460 4.8 60.5 1.0

Reference:

C.M.Calvet, D.F.Vieira, J.Y.Choi, D.Kellar, M.D.Cameron, J.L.Siqueira-Neto, J.Gut, J.B.Johnston, L.Lin, S.Khan, J.H.Mckerrow, W.R.Roush, L.M.Podust. 4-Aminopyridyl-Based CYP51 Inhibitors As Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency. J.Med.Chem. V. 57 6989 2014.
ISSN: ISSN 0022-2623
PubMed: 25101801
DOI: 10.1021/JM500448U
Page generated: Sun Dec 13 11:59:36 2020

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