CodeKO5
Name(2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
SynonymsONO-2770372
Identifier(2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
FormulaC31 H33 F N2 O7
Molecular Weight564.601
SMILESCc1ccc(cc1CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3O[C@@H](CN4CCCC(=O)O)C(=O)O)F
PubChem145704685
Formal Charge0
Total Atoms74
Total Chiral Atoms1
Total Bonds77
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
6RZ9 A Lipid Leukotriene CysLT2 Homo sapiens ONO-2770372 - - 2.73 2019-12-11 10.1038/s41467-019-13348-2

A 2D representation of the interactions of KO5 in 6RZ9
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:I33 R:R:K37 4.36 0 No Yes 1 4 2 1
R:R:H284 R:R:I33 17.23 0 No No 4 1 1 2
R:R:E34 R:R:K37 14.85 1 No Yes 4 4 2 1
R:R:E189 R:R:E34 5.07 1 No No 5 4 2 2
R:R:F41 R:R:K37 8.69 1 Yes Yes 5 4 2 1
R:R:K37 R:R:Y98 3.58 1 Yes Yes 4 5 1 2
R:R:E189 R:R:K37 6.75 1 No Yes 5 4 2 1
L:L:?1 R:R:K37 6.72 1 Yes Yes 0 4 0 1
R:R:F41 R:R:Y98 21.66 1 Yes Yes 5 5 2 2
R:R:V120 R:R:Y116 8.83 1 No Yes 5 5 2 2
R:R:S170 R:R:Y116 3.82 1 No Yes 7 5 1 2
R:R:L118 R:R:Y119 5.86 0 No No 6 5 2 1
R:R:L173 R:R:Y119 5.86 0 No No 5 5 2 1
L:L:?1 R:R:Y119 21.71 1 Yes No 0 5 0 1
R:R:S170 R:R:V120 3.23 1 No No 7 5 1 2
R:R:M122 R:R:Y123 4.79 0 No Yes 7 7 2 1
R:R:M122 R:R:Y263 7.18 0 No Yes 7 7 2 2
R:R:A205 R:R:Y123 5.34 1 No Yes 5 7 1 1
R:R:H264 R:R:Y123 6.53 1 Yes Yes 8 7 2 1
R:R:R267 R:R:Y123 5.14 1 Yes Yes 5 7 1 1
L:L:?1 R:R:Y123 6.82 1 Yes Yes 0 7 0 1
L:L:?1 R:R:S169 3.18 1 Yes No 0 5 0 1
L:L:?1 R:R:S170 3.97 1 Yes No 0 7 0 1
R:R:M172 R:R:M201 11.55 0 No No 8 5 2 1
R:R:I195 R:R:L190 4.28 1 No No 2 4 2 1
R:R:L190 R:R:W274 6.83 1 No Yes 4 3 1 2
L:L:?1 R:R:L190 7.32 1 Yes No 0 4 0 1
R:R:K194 R:R:L198 8.46 0 No No 3 4 2 1
R:R:I195 R:R:W274 12.92 1 No Yes 2 3 2 2
L:L:?1 R:R:L198 11.72 1 Yes No 0 4 0 1
L:L:?1 R:R:M201 6.73 1 Yes No 0 5 0 1
R:R:N202 R:R:R267 9.64 1 Yes Yes 5 5 1 1
R:R:N202 R:R:T268 7.31 1 Yes No 5 6 1 2
R:R:L271 R:R:N202 5.49 1 No Yes 5 5 1 1
L:L:?1 R:R:N202 4.36 1 Yes Yes 0 5 0 1
L:L:?1 R:R:A205 4.17 1 Yes No 0 5 0 1
R:R:H264 R:R:Y263 6.53 1 Yes Yes 8 7 2 2
R:R:R267 R:R:Y263 12.35 1 Yes Yes 5 7 1 2
R:R:H264 R:R:R267 9.03 1 Yes Yes 8 5 2 1
L:L:?1 R:R:R267 18 1 Yes Yes 0 5 0 1
R:R:H270 R:R:H284 13.14 0 No No 4 4 2 1
L:L:?1 R:R:L271 6.59 1 Yes No 0 5 0 1
L:L:?1 R:R:H284 4.76 1 Yes No 0 4 0 1
L:L:?1 R:R:I204 3.02 1 Yes No 0 3 0 1
R:R:G209 R:R:Y123 2.9 0 No Yes 5 7 2 1
R:R:V207 R:R:V208 1.6 0 No No 4 4 2 1
L:L:?1 R:R:V208 1.58 1 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.38
Average Nodes In Shell36.00
Average Hubs In Shell11.00
Average Links In Shell47.00
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 Links15.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.38
Average Nodes In Shell36.00
Average Hubs In Shell11.00
Average Links In Shell47.00
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 🔍)