CodeKNW
Name(2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
SynonymsONO-2570366
Identifier(2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
FormulaC30 H30 Cl F N2 O7
Molecular Weight585.02
SMILESc1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3)OCCCCc4cc(ccc4Cl)F
PubChem145704683
Formal Charge0
Total Atoms71
Total Chiral Atoms1
Total Bonds74
Total Aromatic Bonds18
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6RZ6 A Lipid Leukotriene CysLT2 Homo sapiens ONO-2570366 - - 2.43 2019-12-11 10.1038/s41467-019-13348-2

A 2D representation of the interactions of KNW in 6RZ6
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:E34 R:R:I33 4.1 1 Yes No 4 1 2 2
R:R:H284 R:R:I33 18.56 0 No No 4 1 1 2
R:R:E34 R:R:K37 12.15 1 Yes Yes 4 4 2 1
R:R:E189 R:R:E34 6.34 1 No Yes 5 4 2 2
R:R:F41 R:R:K37 7.44 0 Yes Yes 5 4 2 1
R:R:E189 R:R:K37 6.75 1 No Yes 5 4 2 1
L:L:?1 R:R:K37 5.75 1 Yes Yes 0 4 0 1
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 20.9 1 Yes No 0 5 0 1
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 7.62 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 7.76 1 Yes Yes 0 7 0 1
R:R:M172 R:R:M201 5.78 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 5.69 1 No Yes 4 3 1 2
L:L:?1 R:R:L190 4.93 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 10.57 1 Yes No 0 4 0 1
L:L:?1 R:R:M201 3.6 1 Yes No 0 5 0 1
R:R:N202 R:R:R267 7.23 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 4.12 1 No Yes 5 5 1 1
L:L:?1 R:R:N202 3.5 1 Yes Yes 0 5 0 1
L:L:?1 R:R:A205 4.82 1 Yes No 0 5 0 1
R:R:H264 R:R:Y263 7.62 1 Yes Yes 8 7 2 2
R:R:R267 R:R:Y263 15.43 1 Yes Yes 5 7 1 2
R:R:H264 R:R:R267 7.9 1 Yes Yes 8 5 2 1
L:L:?1 R:R:R267 19.18 1 Yes Yes 0 5 0 1
R:R:H270 R:R:H284 9.55 0 No No 4 4 2 1
R:R:H270 R:R:L287 6.43 0 No No 4 4 2 1
L:L:?1 R:R:L271 6.34 1 Yes No 0 5 0 1
L:L:?1 R:R:H284 5.24 1 Yes No 0 4 0 1
L:L:?1 R:R:L287 3.52 1 Yes No 0 4 0 1
R:R:S170 R:R:V120 3.23 0 No No 7 5 1 2
L:L:?1 R:R:S169 3.06 1 Yes No 0 5 0 1
L:L:?1 R:R:S170 3.06 1 Yes No 0 7 0 1
L:L:?1 R:R:V208 3.04 1 Yes No 0 4 0 1
L:L:?1 R:R:I204 2.91 1 Yes No 0 3 0 1
R:R:G209 R:R:Y123 2.9 0 No Yes 5 7 2 1
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub4.00
Average Interaction Strength6.76
Average Nodes In Shell34.00
Average Hubs In Shell10.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell35.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6RZ7 A Lipid Leukotriene CysLT2 Homo sapiens ONO-2570366 - - 2.43 2019-12-11 10.1038/s41467-019-13348-2

A 2D representation of the interactions of KNW in 6RZ7
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:H284 R:R:I33 17.23 0 No No 4 1 1 2
R:R:E34 R:R:K37 9.45 1 No Yes 4 4 2 1
R:R:E189 R:R:E34 6.34 1 Yes No 5 4 2 2
R:R:F41 R:R:K37 7.44 1 Yes Yes 5 4 2 1
R:R:E189 R:R:K37 5.4 1 Yes Yes 5 4 2 1
R:R:K37 R:R:V288 4.55 1 Yes No 4 5 1 2
L:L:?1 R:R:K37 5.75 1 Yes Yes 0 4 0 1
R:R:F41 R:R:V288 10.49 1 Yes No 5 5 2 2
R:R:L118 R:R:Y119 8.21 0 No No 6 5 2 1
L:L:?1 R:R:Y119 21.49 1 Yes No 0 5 0 1
R:R:M122 R:R:Y123 5.99 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 8.71 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 7.76 1 Yes Yes 0 7 0 1
L:L:?1 R:R:S169 4.59 1 Yes No 0 5 0 1
R:R:M172 R:R:M201 5.78 0 No No 8 5 2 1
R:R:I195 R:R:L190 4.28 0 No No 2 4 2 1
R:R:L190 R:R:W274 4.56 0 No Yes 4 3 1 2
L:L:?1 R:R:L190 7.05 1 Yes No 0 4 0 1
R:R:K194 R:R:L198 7.05 0 No No 3 4 2 1
L:L:?1 R:R:L198 9.87 1 Yes No 0 4 0 1
L:L:?1 R:R:M201 6.48 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 4.9 1 Yes Yes 0 5 0 1
L:L:?1 R:R:A205 6.42 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 15.43 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 19.8 1 Yes Yes 0 5 0 1
R:R:H270 R:R:W274 4.23 0 No Yes 4 3 2 2
R:R:H270 R:R:H284 14.33 0 No No 4 4 2 1
L:L:?1 R:R:L271 7.05 1 Yes No 0 5 0 1
L:L:?1 R:R:H284 5.24 1 Yes No 0 4 0 1
R:R:L173 R:R:Y119 3.52 0 No No 5 5 2 1
R:R:V207 R:R:V208 3.21 0 No No 4 4 2 1
L:L:?1 R:R:I204 2.91 1 Yes No 0 3 0 1
L:L:?1 R:R:V208 2.28 1 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.97
Average Nodes In Shell32.00
Average Hubs In Shell10.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell33.00
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 Strength7.37
Average Nodes In Shell33.00
Average Hubs In Shell10.00
Average Links In Shell42.50
Average Links Mediated by Hubs In Shell34.00

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)