CodeS2F
Name(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
SynonymsTafluprost acid
Identifier(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
FormulaC22 H28 F2 O5
Molecular Weight410.452
SMILESc1ccc(cc1)OCC(/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)O)O)(F)F
PubChem9978917
Formal Charge0
Total Atoms57
Total Chiral Atoms4
Total Bonds58
Total Aromatic Bonds6
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
8IUM A Lipid Prostanoid FP-alpha Homo Sapiens Tafluprost acid - chim(NtGi1-Gs-CtGq)/Beta1/Gamma2 3.14 2023-07-12 10.1038/s41467-023-38411-x

A 2D representation of the interactions of S2F in 8IUM
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:S29 R:R:Y92 5.09 0 No Yes 7 8 2 1
R:R:V30 R:R:Y92 10.09 0 No Yes 6 8 2 1
L:L:?1 R:R:S33 4.09 2 Yes No 0 7 0 1
R:R:D77 R:R:P122 14.49 2 No No 9 9 2 2
R:R:D77 R:R:Q297 9.14 2 No Yes 9 8 2 1
R:R:H81 R:R:T294 4.11 2 Yes No 8 9 1 1
R:R:H81 R:R:Q297 3.71 2 Yes Yes 8 8 1 1
R:R:H81 R:R:I298 2.65 2 Yes Yes 8 8 1 2
L:L:?1 R:R:H81 24.5 2 Yes Yes 0 8 0 1
R:R:F111 R:R:N84 6.04 2 No No 6 6 2 1
R:R:M115 R:R:N84 9.82 2 Yes No 8 6 1 1
L:L:?1 R:R:N84 13.08 2 Yes No 0 6 0 1
R:R:K96 R:R:Y92 5.97 0 No Yes 5 8 2 1
R:R:T184 R:R:Y92 7.49 2 Yes Yes 9 8 1 1
L:L:?1 R:R:Y92 2.39 2 Yes Yes 0 8 0 1
R:R:F111 R:R:M115 9.95 2 No Yes 6 8 2 1
R:R:M115 R:R:W185 2.33 2 Yes Yes 8 8 1 2
L:L:?1 R:R:M115 4.81 2 Yes Yes 0 8 0 1
R:R:F187 R:R:V116 3.93 2 Yes Yes 8 8 2 2
R:R:F205 R:R:V116 2.62 2 Yes Yes 8 8 1 2
R:R:G119 R:R:S118 3.71 2 No Yes 7 7 1 1
R:R:Q297 R:R:S118 4.33 2 Yes Yes 8 7 1 1
L:L:?1 R:R:S118 8.17 2 Yes Yes 0 7 0 1
R:R:G119 R:R:W262 2.81 2 No Yes 7 9 1 2
L:L:?1 R:R:G119 3.49 2 Yes No 0 7 0 1
R:R:F205 R:R:L120 7.31 2 Yes No 8 6 1 2
R:R:P122 R:R:Q297 11.05 2 No Yes 9 8 2 1
R:R:S182 R:R:T184 6.4 2 No Yes 8 9 2 1
R:R:S182 R:R:W185 4.94 2 No Yes 8 8 2 2
R:R:T184 R:R:W185 2.43 2 Yes Yes 9 8 1 2
L:L:?1 R:R:T184 6.02 2 Yes Yes 0 9 0 1
R:R:F187 R:R:W185 8.02 2 Yes Yes 8 8 2 2
R:R:L290 R:R:W185 6.83 0 No Yes 7 8 1 2
R:R:F187 R:R:F205 6.43 2 Yes Yes 8 8 2 1
R:R:F187 R:R:M269 2.49 2 Yes Yes 8 7 2 2
L:L:?1 R:R:F205 2.49 2 Yes Yes 0 8 0 1
R:R:N296 R:R:W262 9.04 0 No Yes 9 9 2 2
R:R:F265 R:R:M269 7.46 0 No Yes 8 7 1 2
R:R:A289 R:R:F265 4.16 0 No No 7 8 2 1
L:L:?1 R:R:F265 4.14 2 Yes No 0 8 0 1
R:R:L287 R:R:R291 10.93 2 No No 6 8 1 1
L:L:?1 R:R:L287 2.83 2 Yes No 0 6 0 1
L:L:?1 R:R:L290 5.65 2 Yes No 0 7 0 1
L:L:?1 R:R:R291 6.61 2 Yes No 0 8 0 1
L:L:?1 R:R:T294 11.03 2 Yes No 0 9 0 1
R:R:N296 R:R:Q297 3.96 0 No Yes 9 8 2 1
L:L:?1 R:R:Q297 8.15 2 Yes Yes 0 8 0 1
R:R:F32 R:R:R291 2.14 0 No No 4 8 2 1
L:L:?1 R:R:A293 2.14 2 Yes No 0 8 0 1
R:R:G80 R:R:S118 1.86 0 No Yes 8 7 2 1
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub7.00
Average Interaction Strength6.85
Average Nodes In Shell35.00
Average Hubs In Shell14.00
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 Links16.00
Average Number Of Links With An Hub7.00
Average Interaction Strength6.85
Average Nodes In Shell35.00
Average Hubs In Shell14.00
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 🔍)