CodeG3U
Name6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione
Synonyms
Identifier6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione
FormulaC19 H17 F2 N3 O4
Molecular Weight389.353
SMILESCc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c(cccn3)OC(F)F
PubChem86764103
Formal Charge0
Total Atoms45
Total Chiral Atoms0
Total Bonds47
Total Aromatic Bonds12
Networks1
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This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7CKY A Amine Dopamine D1 Homo sapiens PW0464 - Gs/Beta1/Gamma2 3.2 2021-03-03 10.1016/j.cell.2021.01.028

A 2D representation of the interactions of G3U in 7CKY
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:D103 R:R:V77 5.84 1 Yes No 7 8 1 2
R:R:V77 R:R:W321 4.9 1 No Yes 8 7 2 2
R:R:W80 R:R:W99 6.56 0 No Yes 5 5 2 1
R:R:K81 R:R:W99 8.12 1 Yes Yes 6 5 1 1
R:R:D314 R:R:K81 9.68 0 No Yes 4 6 2 1
R:R:K81 R:R:W318 8.12 1 Yes Yes 6 5 1 2
R:R:K81 R:R:W321 8.12 1 Yes Yes 6 7 1 2
L:L:?2 R:R:K81 6.87 1 Yes Yes 0 6 0 1
R:R:W90 R:R:W99 14.06 1 Yes Yes 8 5 2 1
R:R:D103 R:R:W99 4.47 1 Yes Yes 7 5 1 1
L:L:?2 R:R:W99 10.4 1 Yes Yes 0 5 0 1
L:L:?2 R:R:V100 6.35 1 Yes No 0 5 0 1
R:R:D103 R:R:S107 4.42 1 Yes No 7 7 1 1
R:R:D103 R:R:W321 8.93 1 Yes Yes 7 7 1 2
L:L:?2 R:R:D103 9.09 1 Yes Yes 0 7 0 1
R:R:I104 R:R:S155 7.74 0 No No 6 7 1 2
L:L:?2 R:R:I104 9.56 1 Yes No 0 6 0 1
R:R:S107 R:R:W321 4.94 1 No Yes 7 7 1 2
L:L:?2 R:R:S107 4.57 1 Yes No 0 7 0 1
R:R:L190 R:R:N292 10.98 1 No Yes 4 6 1 1
L:L:?2 R:R:L190 12.64 1 Yes No 0 4 0 1
R:R:S198 R:R:Y194 13.99 0 No Yes 7 7 1 2
L:L:?2 R:R:S198 6.4 1 Yes No 0 7 0 1
R:R:F289 R:R:S199 5.28 1 Yes No 7 7 1 1
R:R:N292 R:R:S199 7.45 1 Yes No 6 7 1 1
L:L:?2 R:R:S199 5.48 1 Yes No 0 7 0 1
R:R:F203 R:R:F289 30.01 0 Yes Yes 8 7 2 1
R:R:F288 R:R:W285 5.01 1 Yes Yes 7 8 1 2
R:R:F289 R:R:W285 8.02 1 Yes Yes 7 8 1 2
R:R:F288 R:R:F289 12.86 1 Yes Yes 7 7 1 1
R:R:F288 R:R:N292 4.83 1 Yes Yes 7 6 1 1
R:R:F288 R:R:F313 5.36 1 Yes Yes 7 4 1 2
L:L:?2 R:R:F288 7.41 1 Yes Yes 0 7 0 1
L:L:?2 R:R:F289 8.9 1 Yes Yes 0 7 0 1
L:L:?2 R:R:N292 8.36 1 Yes Yes 0 6 0 1
R:R:W318 R:R:W321 14.06 1 Yes Yes 5 7 2 2
R:R:D187 R:R:K81 4.15 0 No Yes 5 6 2 1
L:L:?2 R:R:S188 2.74 1 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.60
Average Nodes In Shell26.00
Average Hubs In Shell14.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell37.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.60
Average Nodes In Shell26.00
Average Hubs In Shell14.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell37.00

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)