CodeKNZ
Name(2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
SynonymsONO-2080365
Identifier(2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
FormulaC30 H29 F3 N2 O8
Molecular Weight602.555
SMILESc1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3F)OCCCCOc4cccc(c4F)F
PubChem145704684
Formal Charge0
Total Atoms72
Total Chiral Atoms1
Total Bonds75
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
6RZ8 A Lipid Leukotriene CysLT2 Homo sapiens ONO-2080365 - - 2.7 2019-12-11 10.1038/s41467-019-13348-2

A 2D representation of the interactions of KNZ in 6RZ8
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 Yes 4 1 2 2
R:R:I33 R:R:K37 4.36 1 Yes Yes 1 4 2 1
R:R:H284 R:R:I33 15.91 1 Yes Yes 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 8.69 1 Yes Yes 5 4 2 1
R:R:E189 R:R:K37 5.4 1 No Yes 5 4 2 1
R:R:H284 R:R:K37 5.24 1 Yes Yes 4 4 1 1
R:R:K37 R:R:V288 4.55 1 Yes Yes 4 5 1 2
L:L:?1 R:R:K37 6.3 1 Yes Yes 0 4 0 1
R:R:F41 R:R:V288 9.18 1 Yes Yes 5 5 2 2
R:R:L118 R:R:Y119 9.38 0 No No 6 5 2 1
R:R:L173 R:R:Y119 4.69 1 No No 5 5 1 1
L:L:?1 R:R:Y119 26.78 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: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 6.99 1 Yes Yes 0 7 0 1
R:R:P213 R:R:Y127 4.17 0 Yes No 9 5 2 1
L:L:?1 R:R:Y127 4.07 1 Yes No 0 5 0 1
L:L:?1 R:R:S169 8.2 1 Yes No 0 5 0 1
L:L:?1 R:R:L173 4.12 1 Yes No 0 5 0 1
R:R:K194 R:R:S176 9.18 1 Yes No 3 4 1 2
R:R:L190 R:R:W274 4.56 0 No Yes 4 3 1 2
L:L:?1 R:R:L190 6.87 1 Yes No 0 4 0 1
R:R:K194 R:R:N191 11.19 1 Yes No 3 5 1 2
R:R:K194 R:R:L198 4.23 1 Yes No 3 4 1 1
L:L:?1 R:R:K194 4.2 1 Yes Yes 0 3 0 1
L:L:?1 R:R:L198 11.68 1 Yes No 0 4 0 1
L:L:?1 R:R:M201 9.13 1 Yes No 0 5 0 1
R:R:N202 R:R:R267 8.44 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 6.87 1 No Yes 5 5 1 1
L:L:?1 R:R:N202 4.09 1 Yes Yes 0 5 0 1
R:R:H264 R:R:Y263 5.44 1 Yes Yes 8 7 2 2
R:R:R267 R:R:Y263 17.49 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 16.29 1 Yes Yes 0 5 0 1
R:R:H270 R:R:W274 4.23 0 Yes Yes 4 3 2 2
R:R:H270 R:R:H284 8.36 0 Yes Yes 4 4 2 1
L:L:?1 R:R:L271 6.19 1 Yes No 0 5 0 1
L:L:?1 R:R:H284 6.38 1 Yes Yes 0 4 0 1
L:L:?1 R:R:S170 3.73 1 Yes No 0 7 0 1
R:R:V207 R:R:V208 3.21 0 No No 4 4 2 1
L:L:?1 R:R:A205 3.13 1 Yes No 0 5 0 1
L:L:?1 R:R:S115 2.98 1 Yes No 0 6 0 1
R:R:K197 R:R:M201 2.88 0 No No 3 5 2 1
L:L:?1 R:R:V208 2.22 1 Yes No 0 4 0 1
R:R:I204 R:R:V208 1.54 0 No No 3 4 2 1
StatisticsValue
Average Number Of Links18.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.41
Average Nodes In Shell37.00
Average Hubs In Shell16.00
Average Links In Shell50.00
Average Links Mediated by Hubs In Shell45.00
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 Links18.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.41
Average Nodes In Shell37.00
Average Hubs In Shell16.00
Average Links In Shell50.00
Average Links Mediated by Hubs In Shell45.00

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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 🔍)