CodeBUR
Name1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
Synonyms
Identifier1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethyloxy)phenyl]urea
FormulaC23 H22 F3 N3 O3
Molecular Weight445.434
SMILESCC(C)(C)c1ccccc1Oc2c(cccn2)NC(=O)Nc3ccc(cc3)OC(F)(F)F
PubChem11510579
Formal Charge0
Total Atoms54
Total Chiral Atoms0
Total Bonds56
Total Aromatic Bonds18
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
4XNV A Nucleotide P2Y P2Y1 Homo sapiens - BPTU - 2.2 2015-04-01 10.1038/nature14287

A 2D representation of the interactions of BUR in 4XNV
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:F62 R:R:F66 5.36 1 No Yes 6 5 1 1
R:R:F62 R:R:P105 13 1 No No 6 9 1 1
R:R:F62 W:W:?1 12.87 1 No Yes 6 0 1 0
R:R:F66 R:R:S70 7.93 1 Yes No 5 3 1 2
R:R:F66 R:R:F98 6.43 1 Yes Yes 5 7 1 2
R:R:F66 W:W:?1 12.11 1 Yes Yes 5 0 1 0
R:R:F98 R:R:S70 5.28 1 Yes No 7 3 2 2
R:R:F98 R:R:L102 8.53 1 Yes No 7 5 2 1
R:R:L102 W:W:?1 5.16 0 No Yes 5 0 1 0
R:R:Q127 R:R:T103 8.5 1 Yes No 4 6 1 1
R:R:I130 R:R:T103 4.56 0 No No 4 6 2 1
R:R:T103 W:W:?1 13.74 1 No Yes 6 0 1 0
R:R:P105 W:W:?1 17.35 1 No Yes 9 0 1 0
R:R:A106 W:W:?1 7.83 0 No Yes 6 0 1 0
R:R:L107 R:R:Q127 11.98 0 No Yes 7 4 2 1
R:R:F109 R:R:I118 7.54 1 No No 3 3 2 2
R:R:F109 R:R:F119 6.43 1 No Yes 3 7 2 1
R:R:F119 R:R:W117 12.03 1 Yes Yes 7 8 1 2
R:R:Q127 R:R:W117 7.67 1 Yes Yes 4 8 1 2
R:R:F119 R:R:I118 10.05 1 Yes No 7 3 1 2
R:R:F119 W:W:?1 7.57 1 Yes Yes 7 0 1 0
R:R:M123 W:W:?1 10.54 0 No Yes 5 0 1 0
R:R:Q127 W:W:?1 5.79 1 Yes Yes 4 0 1 0
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub3.00
Average Interaction Strength10.33
Average Nodes In Shell17.00
Average Hubs In Shell6.00
Average Links In Shell23.00
Average Links Mediated by Hubs In Shell20.00
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 Links9.00
Average Number Of Links With An Hub3.00
Average Interaction Strength10.33
Average Nodes In Shell17.00
Average Hubs In Shell6.00
Average Links In Shell23.00
Average Links Mediated by Hubs In Shell20.00

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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 🔍)